N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide

C24H29N3O — CID 17007291

IUPACN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CCC2CCCCC2)c1
InChIInChI=1S/C24H29N3O/c1-18-8-7-11-20(16-18)24(28)25-17-23-26-21-12-5-6-13-22(21)27(23)15-14-19-9-3-2-4-10-19/h5-8,11-13,16,19H,2-4,9-10,14-15,17H2,1H3,(H,25,28)
InChIKeyHPGIGPJQYHZHKJ-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.25
Rot. Bonds6

About N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide

N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide (PubChem CID 17007291) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
PubChem CID17007291
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CCC2CCCCC2)c1
InChIInChI=1S/C24H29N3O/c1-18-8-7-11-20(16-18)24(28)25-17-23-26-21-12-5-6-13-22(21)27(23)15-14-19-9-3-2-4-10-19/h5-8,11-13,16,19H,2-4,9-10,14-15,17H2,1H3,(H,25,28)
InChIKeyHPGIGPJQYHZHKJ-UHFFFAOYSA-N
XLogP5.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008409
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029444
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
3-methyl-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007392
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide (CID 17007291) is N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2nc3ccccc3n2CCC2CCCCC2)c1.
What is the InChIKey of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide?
The InChIKey is HPGIGPJQYHZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-8-7-11-20(16-18)24(28)25-17-23-26-21-12-5-6-13-22(21)27(23)15-14-19-9-3-2-4-10-19/h5-8,11-13,16,19H,2-4,9-10,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide?
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide has a molecular weight of 375.52 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 17007291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).