2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid

C19H25N3O4 — CID 119212122

IUPAC2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O
InChIInChI=1S/C19H25N3O4/c1-3-11(2)16(18(24)25)21-17(23)12-8-9-15-14(10-12)20-19(26)22(15)13-6-4-5-7-13/h8-11,13,16H,3-7H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)
InChIKeyYCKHWAZAWYDYAM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.67
Rot. Bonds6

About 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid

2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 119212122) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
PubChem CID119212122
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O
InChIInChI=1S/C19H25N3O4/c1-3-11(2)16(18(24)25)21-17(23)12-8-9-15-14(10-12)20-19(26)22(15)13-6-4-5-7-13/h8-11,13,16H,3-7H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)
InChIKeyYCKHWAZAWYDYAM-UHFFFAOYSA-N
XLogP2.67
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119366962
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 120887120
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid (CID 119212122) is 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is YCKHWAZAWYDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-11(2)16(18(24)25)21-17(23)12-8-9-15-14(10-12)20-19(26)22(15)13-6-4-5-7-13/h8-11,13,16H,3-7H2,1-2H3,(H,20,26)(H,21,23)(H,24,25).
What are the key properties of 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid?
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 359.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 119212122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).