1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide

C24H23N3O3S — CID 71712096

IUPAC1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-3-21(18-7-5-4-6-8-18)26-24(28)19-11-14-23-22(15-19)25-16-27(23)31(29,30)20-12-9-17(2)10-13-20/h4-16,21H,3H2,1-2H3,(H,26,28)
InChIKeyMHUDRVCNBCZHFF-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.46
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide

1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide (PubChem CID 71712096) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
PubChem CID71712096
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-3-21(18-7-5-4-6-8-18)26-24(28)19-11-14-23-22(15-19)25-16-27(23)31(29,30)20-12-9-17(2)10-13-20/h4-16,21H,3H2,1-2H3,(H,26,28)
InChIKeyMHUDRVCNBCZHFF-UHFFFAOYSA-N
XLogP4.46
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 90380118
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(1S)-1-(4-methylphenyl)propyl]-2H-benzotriazole-5-carboxamide
CID 51562771
1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075876
tert-butyl 2-[4-[[5-(1-phenylpropylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoate
CID 118072732
N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide
CID 69276128
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide (CID 71712096) is 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
The InChIKey is MHUDRVCNBCZHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-21(18-7-5-4-6-8-18)26-24(28)19-11-14-23-22(15-19)25-16-27(23)31(29,30)20-12-9-17(2)10-13-20/h4-16,21H,3H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 71712096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).