N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide

C20H25N5O2 — CID 154833521

IUPACN-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
InChIInChI=1S/C20H25N5O2/c1-2-3-6-14-12-18(24-23-14)22-19(26)13-9-10-17-16(11-13)21-20(27)25(17)15-7-4-5-8-15/h9-12,15H,2-8H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyCNHDNHUGIRVYNY-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.76
Rot. Bonds6

About N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide

N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 154833521) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID154833521
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1
InChIInChI=1S/C20H25N5O2/c1-2-3-6-14-12-18(24-23-14)22-19(26)13-9-10-17-16(11-13)21-20(27)25(17)15-7-4-5-8-15/h9-12,15H,2-8H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyCNHDNHUGIRVYNY-UHFFFAOYSA-N
XLogP3.76
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167786474
1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 154851203
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 154833521) is N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide is CCCCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)n[nH]1.
What is the InChIKey of N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is CNHDNHUGIRVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-3-6-14-12-18(24-23-14)22-19(26)13-9-10-17-16(11-13)21-20(27)25(17)15-7-4-5-8-15/h9-12,15H,2-8H2,1H3,(H,21,27)(H2,22,23,24,26).
What are the key properties of N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154833521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).