1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H20FN3O2 — CID 71170291

IUPAC1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C20H20FN3O2/c21-16-8-4-1-5-14(16)12-22-19(25)13-9-10-18-17(11-13)23-20(26)24(18)15-6-2-3-7-15/h1,4-5,8-11,15H,2-3,6-7,12H2,(H,22,25)(H,23,26)
InChIKeyGCCWYOZAIRAIIS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds4

About 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 71170291) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID71170291
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C20H20FN3O2/c21-16-8-4-1-5-14(16)12-22-19(25)13-9-10-18-17(11-13)23-20(26)24(18)15-6-2-3-7-15/h1,4-5,8-11,15H,2-3,6-7,12H2,(H,22,25)(H,23,26)
InChIKeyGCCWYOZAIRAIIS-UHFFFAOYSA-N
XLogP3.51
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119366962
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 166630330
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
(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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 71170291) is 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is O=C(NCc1ccccc1F)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is GCCWYOZAIRAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-8-4-1-5-14(16)12-22-19(25)13-9-10-18-17(11-13)23-20(26)24(18)15-6-2-3-7-15/h1,4-5,8-11,15H,2-3,6-7,12H2,(H,22,25)(H,23,26).
What are the key properties of 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71170291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).