N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide

C21H19N3O2S — CID 1373136

IUPACN-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-10-19(11-8-16)27(25,26)23-18-9-12-21-20(13-18)22-15-24(21)14-17-5-3-2-4-6-17/h2-13,15,23H,14H2,1H3
InChIKeyXUQMHVNXBGKEMP-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.19
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 1373136) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
PubChem CID1373136
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-10-19(11-8-16)27(25,26)23-18-9-12-21-20(13-18)22-15-24(21)14-17-5-3-2-4-6-17/h2-13,15,23H,14H2,1H3
InChIKeyXUQMHVNXBGKEMP-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-methylbenzimidazole
CID 12620837
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide
CID 15943384
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
CID 171418978
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17244510

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide (CID 1373136) is N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is XUQMHVNXBGKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-16-7-10-19(11-8-16)27(25,26)23-18-9-12-21-20(13-18)22-15-24(21)14-17-5-3-2-4-6-17/h2-13,15,23H,14H2,1H3.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1373136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).