N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide

C28H24N4O3S — CID 18315553

IUPACN-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide
SMILESCNc1nc2c(C(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H24N4O3S/c1-29-28-30-26-24(27(33)31-36(34,35)23-11-6-3-7-12-23)13-8-14-25(26)32(28)19-20-15-17-22(18-16-20)21-9-4-2-5-10-21/h2-18H,19H2,1H3,(H,29,30)(H,31,33)
InChIKeyJPNFJCKFZIQVTG-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.91
Rot. Bonds7

About N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide

N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide (PubChem CID 18315553) has the molecular formula C28H24N4O3S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide
PubChem CID18315553
Molecular FormulaC28H24N4O3S
Molecular Weight496.59 g/mol
Exact Mass496.16
IUPAC NameN-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide
SMILESCNc1nc2c(C(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H24N4O3S/c1-29-28-30-26-24(27(33)31-36(34,35)23-11-6-3-7-12-23)13-8-14-25(26)32(28)19-20-15-17-22(18-16-20)21-9-4-2-5-10-21/h2-18H,19H2,1H3,(H,29,30)(H,31,33)
InChIKeyJPNFJCKFZIQVTG-UHFFFAOYSA-N
XLogP4.91
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
CID 174891130
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
1-[[4-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 67665431
potassium N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide
CID 23717741
N-(benzenesulfonyl)-2-[4-[[2-butyl-5-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]benzamide
CID 67733327
3-[[2-(methylamino)benzimidazol-1-yl]methyl]benzoic acid
CID 82359443
potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride
CID 173201492
methyl 1-benzyl-2-(isoquinoline-3-carbonylamino)benzimidazole-4-carboxylate
CID 58724432
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
CID 57401428
N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 140992498

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide (CID 18315553) is N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide is CNc1nc2c(C(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide?
The InChIKey is JPNFJCKFZIQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3S/c1-29-28-30-26-24(27(33)31-36(34,35)23-11-6-3-7-12-23)13-8-14-25(26)32(28)19-20-15-17-22(18-16-20)21-9-4-2-5-10-21/h2-18H,19H2,1H3,(H,29,30)(H,31,33).
What are the key properties of N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide?
N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(methylamino)-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 18315553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).