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

C21H22FN3O2 — CID 6489617

IUPAC1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C21H22FN3O2/c22-16-6-4-5-14(11-16)13-23-20(26)15-9-10-19-18(12-15)24-21(27)25(19)17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,23,26)(H,24,27)
InChIKeyNTYFXAXFKHPLCE-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.90
Rot. Bonds4

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

1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 6489617) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID6489617
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C21H22FN3O2/c22-16-6-4-5-14(11-16)13-23-20(26)15-9-10-19-18(12-15)24-21(27)25(19)17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,23,26)(H,24,27)
InChIKeyNTYFXAXFKHPLCE-UHFFFAOYSA-N
XLogP3.90
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 6489617) is 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is O=C(NCc1cccc(F)c1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is NTYFXAXFKHPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-16-6-4-5-14(11-16)13-23-20(26)15-9-10-19-18(12-15)24-21(27)25(19)17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,23,26)(H,24,27).
What are the key properties of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 6489617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).