1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride

C18H25ClN4O2 — CID 119428553

IUPAC1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C18H24N4O2.ClH/c23-17(20-13-4-3-9-19-11-13)12-7-8-16-15(10-12)21-18(24)22(16)14-5-1-2-6-14;/h7-8,10,13-14,19H,1-6,9,11H2,(H,20,23)(H,21,24);1H
InChIKeyVSZWHGMSKFHWIL-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.35
Rot. Bonds3

About 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride

1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride (PubChem CID 119428553) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
PubChem CID119428553
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C18H24N4O2.ClH/c23-17(20-13-4-3-9-19-11-13)12-7-8-16-15(10-12)21-18(24)22(16)14-5-1-2-6-14;/h7-8,10,13-14,19H,1-6,9,11H2,(H,20,23)(H,21,24);1H
InChIKeyVSZWHGMSKFHWIL-UHFFFAOYSA-N
XLogP2.35
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
N-piperidin-3-ylbenzamide
CID 22017045
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119366962
1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 120887120
2-oxo-N-piperidin-3-yl-1,3-dihydroindole-5-carboxamide
CID 102711516

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride (CID 119428553) is 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride?
The InChIKey is VSZWHGMSKFHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c23-17(20-13-4-3-9-19-11-13)12-7-8-16-15(10-12)21-18(24)22(16)14-5-1-2-6-14;/h7-8,10,13-14,19H,1-6,9,11H2,(H,20,23)(H,21,24);1H.
What are the key properties of 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride?
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119428553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).