4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide

C19H20ClN3O4S — CID 50824182

IUPAC4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
SMILESCC(C)S(=O)(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C
InChIInChI=1S/C19H20ClN3O4S/c1-11(2)28(26,27)17-10-16-15(22(3)19(25)23(16)4)9-14(17)21-18(24)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,24)
InChIKeyZYTOJESHCGNEHV-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.96
Rot. Bonds4

About 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide

4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide (PubChem CID 50824182) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
PubChem CID50824182
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
SMILESCC(C)S(=O)(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C
InChIInChI=1S/C19H20ClN3O4S/c1-11(2)28(26,27)17-10-16-15(22(3)19(25)23(16)4)9-14(17)21-18(24)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,24)
InChIKeyZYTOJESHCGNEHV-UHFFFAOYSA-N
XLogP2.96
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 50824181
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765410
5-[(2S)-2-chloropropanoyl]-1,3-dimethylbenzimidazol-2-one
CID 42157586
4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 47176378

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide (CID 50824182) is 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide is CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C.
What is the InChIKey of 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide?
The InChIKey is ZYTOJESHCGNEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-11(2)28(26,27)17-10-16-15(22(3)19(25)23(16)4)9-14(17)21-18(24)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,24).
What are the key properties of 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide?
4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide has a molecular weight of 421.91 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 50824182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).