1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide

C23H27N3O — CID 4583884

IUPAC1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc3c(c2)ncn3C2CCCCC2)cc1
InChIInChI=1S/C23H27N3O/c1-2-17-8-10-18(11-9-17)15-24-23(27)19-12-13-22-21(14-19)25-16-26(22)20-6-4-3-5-7-20/h8-14,16,20H,2-7,15H2,1H3,(H,24,27)
InChIKeyCUJHYIBMBWILHZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.03
Rot. Bonds5

About 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide

1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 4583884) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID4583884
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc3c(c2)ncn3C2CCCCC2)cc1
InChIInChI=1S/C23H27N3O/c1-2-17-8-10-18(11-9-17)15-24-23(27)19-12-13-22-21(14-19)25-16-26(22)20-6-4-3-5-7-20/h8-14,16,20H,2-7,15H2,1H3,(H,24,27)
InChIKeyCUJHYIBMBWILHZ-UHFFFAOYSA-N
XLogP5.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium
CID 4581778
1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide
CID 5113632
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
CID 53115293
1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine
CID 949185
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1469402
2-(4-chlorophenyl)-N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586359
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
CID 82495016
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
CID 82492988

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide (CID 4583884) is 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide is CCc1ccc(CNC(=O)c2ccc3c(c2)ncn3C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is CUJHYIBMBWILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-17-8-10-18(11-9-17)15-24-23(27)19-12-13-22-21(14-19)25-16-26(22)20-6-4-3-5-7-20/h8-14,16,20H,2-7,15H2,1H3,(H,24,27).
What are the key properties of 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide?
1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 4583884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).