4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid

CAS: 81186-21-2

Molecular Formula	`C20H28N4O3`
Molecular Weight	372.5 g/mol
LogP	1.6
Topological Polar Surface Area	85.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	372.21616
Heavy Atoms	27
Complexity	539.0

Chemical Identifiers

CAS Number	81186-21-2
SMILES	`C1CCC(C1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3`
InChIKey	`NIPSVSOVTLKTPQ-UHFFFAOYSA-N`

📖 Product Overview

4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid (CAS: 81186-21-2) is a chemical compound with molecular formula C20H28N4O3 and molecular weight 372.5 g/mol. Its IUPAC systematic name is 4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid. LogP 1.6 Topological Polar Surface Area 85.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 372.21616 Heavy Atoms 27 Complexity 539.0 InChI Key: NIPSVSOVTLKTPQ-UHFFFAOYSA-N. SMILES: C1CCC(C1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid.

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