BRN 0869542

4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile

CAS: 100700-38-7

Molecular Formula	`C29H30N4O2`
Molecular Weight	466.6 g/mol
LogP	4.7
Topological Polar Surface Area	70.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	466.23688
Heavy Atoms	35
Complexity	740.0

Chemical Identifiers

CAS Number	100700-38-7
SMILES	`C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5`
InChIKey	`HLBZVDQDHZUVOU-UHFFFAOYSA-N`

📖 Product Overview

BRN 0869542 (CAS: 100700-38-7) is a chemical compound with molecular formula C29H30N4O2 and molecular weight 466.6 g/mol. Its IUPAC systematic name is 4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile. LogP 4.7 Topological Polar Surface Area 70.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 466.23688 Heavy Atoms 35 Complexity 740.0 InChI Key: HLBZVDQDHZUVOU-UHFFFAOYSA-N. SMILES: C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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