N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

C24H29N3O — CID 16968262

IUPACN-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCc1ccccc1Cn1c(C(C)NC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-17-10-6-7-13-20(17)16-27-22-15-9-8-14-21(22)26-23(27)18(2)25-24(28)19-11-4-3-5-12-19/h6-10,13-15,18-19H,3-5,11-12,16H2,1-2H3,(H,25,28)
InChIKeyOLFZRKPITKYXPS-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.15
Rot. Bonds5

About N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 16968262) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID16968262
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCc1ccccc1Cn1c(C(C)NC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-17-10-6-7-13-20(17)16-27-22-15-9-8-14-21(22)26-23(27)18(2)25-24(28)19-11-4-3-5-12-19/h6-10,13-15,18-19H,3-5,11-12,16H2,1-2H3,(H,25,28)
InChIKeyOLFZRKPITKYXPS-UHFFFAOYSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968280
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968279
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968304
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968299
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 16968262) is N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is Cc1ccccc1Cn1c(C(C)NC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is OLFZRKPITKYXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17-10-6-7-13-20(17)16-27-22-15-9-8-14-21(22)26-23(27)18(2)25-24(28)19-11-4-3-5-12-19/h6-10,13-15,18-19H,3-5,11-12,16H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).