N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C21H19N3O2S — CID 22430112

IUPACN-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-14-8-10-18(15(2)12-14)24-27(25,26)17-9-11-19-20(13-17)23-21(22-19)16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23)
InChIKeyJHVMCYQPPPTOEL-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.65
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 22430112) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID22430112
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-14-8-10-18(15(2)12-14)24-27(25,26)17-9-11-19-20(13-17)23-21(22-19)16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23)
InChIKeyJHVMCYQPPPTOEL-UHFFFAOYSA-N
XLogP4.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25039590
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040313
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
CID 70573433
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 22430112) is N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is JHVMCYQPPPTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-8-10-18(15(2)12-14)24-27(25,26)17-9-11-19-20(13-17)23-21(22-19)16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 22430112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).