1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide

C26H32N4O2 — CID 50842408

IUPAC1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)nc(C)n3CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H32N4O2/c1-18-7-6-8-20(15-18)17-27-26(32)21-11-12-24-23(16-21)28-19(2)30(24)14-13-25(31)29-22-9-4-3-5-10-22/h6-8,11-12,15-16,22H,3-5,9-10,13-14,17H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyBZESXKURWWHNKZ-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.42
Rot. Bonds7

About 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide

1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 50842408) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID50842408
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)nc(C)n3CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H32N4O2/c1-18-7-6-8-20(15-18)17-27-26(32)21-11-12-24-23(16-21)28-19(2)30(24)14-13-25(31)29-22-9-4-3-5-10-22/h6-8,11-12,15-16,22H,3-5,9-10,13-14,17H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyBZESXKURWWHNKZ-UHFFFAOYSA-N
XLogP4.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029444
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide
CID 131897369
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
CID 50742509
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
3-N-cyclohexyl-1-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068639

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide (CID 50842408) is 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide is Cc1cccc(CNC(=O)c2ccc3c(c2)nc(C)n3CCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is BZESXKURWWHNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-7-6-8-20(15-18)17-27-26(32)21-11-12-24-23(16-21)28-19(2)30(24)14-13-25(31)29-22-9-4-3-5-10-22/h6-8,11-12,15-16,22H,3-5,9-10,13-14,17H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide?
1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 50842408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).