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1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride structure
Fine Chemical

1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride

TL;DR: 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride (CAS 1049721-30-3) is a chemical compound with molecular formula C16H19ClN4O and molecular weight 318.12473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]benzimidazol-2-one;hydrochloride

Also Known As: 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride, 1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]benzimidazol-2-one hydrochloride, 1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]benzoimidazol-2-one Hydrochloride

CAS Number
1049721-30-3
Molecular Formula
C16H19ClN4O
Molecular Weight
318.12473 g/mol
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Technical Specifications

Molecular FormulaC16H19ClN4O
Molecular Weight318.12473 g/mol
XLogP1.9836
Topological Polar Surface Area (TPSA)48.5 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds4
Exact Mass318.12473 Da
Heavy Atoms22
Complexity375.0
SMILESCN1C2=C(C=C(C=C2)CNCC3=CN=CC=C3)N(C1=O)C.Cl
InChIKeyXJDMKQCXEMDQIU-UHFFFAOYSA-N

Chemical Property Profile of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride

XLogP
1.9836
TPSA (Topological Polar Surface Area)
48.5
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
4
Heavy Atoms
22
Complexity
375.0
Exact Mass
318.12473
Monoisotopic Mass
318.12473
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride

The XLogP value of 1.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride. With a topological polar surface area (TPSA) of 48.5 Ų, 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride?

The CAS number of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride is 1049721-30-3.

What is the molecular formula of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride?

The molecular formula of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride is C16H19ClN4O.

What is the molecular weight of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride?

The molecular weight of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride is 318.12473 g/mol.

Where can I buy 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride?

You can request a quote for 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride?

Yes, CoreyChem provides custom synthesis services for 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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