4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide

C26H28N4O3S — CID 50825233

IUPAC4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)CCc4ccccc4)ccc3n2C)cc1
InChIInChI=1S/C26H28N4O3S/c1-18(2)27-26(31)21-11-9-20(10-12-21)25-28-23-17-22(13-14-24(23)30(25)3)29-34(32,33)16-15-19-7-5-4-6-8-19/h4-14,17-18,29H,15-16H2,1-3H3,(H,27,31)
InChIKeyRAPLNHJCEZOWSE-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.36
Rot. Bonds8

About 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide

4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide (PubChem CID 50825233) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
PubChem CID50825233
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)CCc4ccccc4)ccc3n2C)cc1
InChIInChI=1S/C26H28N4O3S/c1-18(2)27-26(31)21-11-9-20(10-12-21)25-28-23-17-22(13-14-24(23)30(25)3)29-34(32,33)16-15-19-7-5-4-6-8-19/h4-14,17-18,29H,15-16H2,1-3H3,(H,27,31)
InChIKeyRAPLNHJCEZOWSE-UHFFFAOYSA-N
XLogP4.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825231
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 134127106
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide (CID 50825233) is 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)CCc4ccccc4)ccc3n2C)cc1.
What is the InChIKey of 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is RAPLNHJCEZOWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18(2)27-26(31)21-11-9-20(10-12-21)25-28-23-17-22(13-14-24(23)30(25)3)29-34(32,33)16-15-19-7-5-4-6-8-19/h4-14,17-18,29H,15-16H2,1-3H3,(H,27,31).
What are the key properties of 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide?
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 476.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50825233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).