3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide

C21H20N4O2S — CID 53063305

IUPAC3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCn2c(-c3ccncc3)nc3ccccc32)c1
InChIInChI=1S/C21H20N4O2S/c1-16-5-4-6-18(15-16)28(26,27)23-13-14-25-20-8-3-2-7-19(20)24-21(25)17-9-11-22-12-10-17/h2-12,15,23H,13-14H2,1H3
InChIKeyXVEISMDEMZJFRR-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.39
Rot. Bonds6

About 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide

3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 53063305) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID53063305
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCn2c(-c3ccncc3)nc3ccccc32)c1
InChIInChI=1S/C21H20N4O2S/c1-16-5-4-6-18(15-16)28(26,27)23-13-14-25-20-8-3-2-7-19(20)24-21(25)17-9-11-22-12-10-17/h2-12,15,23H,13-14H2,1H3
InChIKeyXVEISMDEMZJFRR-UHFFFAOYSA-N
XLogP3.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063297
N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide
CID 53063270
3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063208
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
CID 53063187
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
3-methyl-2-oxo-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]-1,3-benzoxazole-6-sulfonamide
CID 50762293
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 50762350
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
CID 177397978
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 46286493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide (CID 53063305) is 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCn2c(-c3ccncc3)nc3ccccc32)c1.
What is the InChIKey of 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is XVEISMDEMZJFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-16-5-4-6-18(15-16)28(26,27)23-13-14-25-20-8-3-2-7-19(20)24-21(25)17-9-11-22-12-10-17/h2-12,15,23H,13-14H2,1H3.
What are the key properties of 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53063305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).