1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide

C25H25N3O — CID 90380118

IUPAC1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-3-22(20-7-5-4-6-8-20)27-25(29)21-13-14-24-23(15-21)26-17-28(24)16-19-11-9-18(2)10-12-19/h4-15,17,22H,3,16H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKeyCKHDZBZZWORMEB-QFIPXVFZSA-N
MW383.50 g/mol
LogP5.27
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide

1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide (PubChem CID 90380118) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
PubChem CID90380118
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-3-22(20-7-5-4-6-8-20)27-25(29)21-13-14-24-23(15-21)26-17-28(24)16-19-11-9-18(2)10-12-19/h4-15,17,22H,3,16H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKeyCKHDZBZZWORMEB-QFIPXVFZSA-N
XLogP5.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[4-[[5-(1-phenylpropylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoate
CID 118072732
2-[4-[[6-(1-phenylpropylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 71573438
1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
CID 71712096
1-[(4-chlorophenyl)methyl]-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 74930386
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
bis(carbon dioxide);N-[(2S)-5-methylhexan-2-yl]-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-[(2S)-4-methylpentan-2-yl]-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide
CID 162083136
1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
CID 74930486
N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938
1-benzyl-5-methylbenzimidazole
CID 12620837
2-(benzimidazol-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 42198041
N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]benzimidazole-5-carboxamide
CID 118087996
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide (CID 90380118) is 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide is CC[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide?
The InChIKey is CKHDZBZZWORMEB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25N3O/c1-3-22(20-7-5-4-6-8-20)27-25(29)21-13-14-24-23(15-21)26-17-28(24)16-19-11-9-18(2)10-12-19/h4-15,17,22H,3,16H2,1-2H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide?
1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 90380118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).