4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide

C22H24ClN3O4S — CID 50824181

IUPAC4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)cc21
InChIInChI=1S/C22H24ClN3O4S/c1-25-18-12-17(24-21(27)14-8-10-15(23)11-9-14)20(13-19(18)26(2)22(25)28)31(29,30)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,24,27)
InChIKeyOHZZQFLXGJVZDD-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide

4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide (PubChem CID 50824181) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
PubChem CID50824181
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)cc21
InChIInChI=1S/C22H24ClN3O4S/c1-25-18-12-17(24-21(27)14-8-10-15(23)11-9-14)20(13-19(18)26(2)22(25)28)31(29,30)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,24,27)
InChIKeyOHZZQFLXGJVZDD-UHFFFAOYSA-N
XLogP3.89
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
CID 50824815
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
CID 50824372
4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
CID 50824182
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 50824365
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
CID 120568913
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide (CID 50824181) is 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)cc21.
What is the InChIKey of 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
The InChIKey is OHZZQFLXGJVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-25-18-12-17(24-21(27)14-8-10-15(23)11-9-14)20(13-19(18)26(2)22(25)28)31(29,30)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide has a molecular weight of 461.97 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 50824181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).