2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide

C22H21N3O2S — CID 15989568

IUPAC2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C22H21N3O2S/c1-15(2)16-8-10-18(11-9-16)25-28(26,27)19-12-13-20-21(14-19)24-22(23-20)17-6-4-3-5-7-17/h3-15,25H,1-2H3,(H,23,24)
InChIKeyGMWSTABFRAUBSA-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.15
Rot. Bonds5

About 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide

2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 15989568) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID15989568
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C22H21N3O2S/c1-15(2)16-8-10-18(11-9-16)25-28(26,27)19-12-13-20-21(14-19)24-22(23-20)17-6-4-3-5-7-17/h3-15,25H,1-2H3,(H,23,24)
InChIKeyGMWSTABFRAUBSA-UHFFFAOYSA-N
XLogP5.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
Enviradene
CID 6435398
N-[2-(2,5-diphenyl-1H-imidazol-4-yl)ethyl]-4-pentylbenzene-1-sulfonamide
CID 24825344
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
CID 56649677
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
CID 70697155
2-{2-[(3,4-dimethylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 773571
4-fluoro-3-methyl-N-(2-methyl-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3160828
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide (CID 15989568) is 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is GMWSTABFRAUBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15(2)16-8-10-18(11-9-16)25-28(26,27)19-12-13-20-21(14-19)24-22(23-20)17-6-4-3-5-7-17/h3-15,25H,1-2H3,(H,23,24).
What are the key properties of 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide?
2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 391.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 15989568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).