2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide

C16H14ClN3O3S — CID 23938449

IUPAC2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
SMILESCn1c(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc2ccccc21
InChIInChI=1S/C16H14ClN3O3S/c1-20-14-6-4-3-5-13(14)18-16(20)19-15(21)11-8-7-10(9-12(11)17)24(2,22)23/h3-9H,1-2H3,(H,18,19,21)
InChIKeyYDXUVMROLRTOTP-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide

2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide (PubChem CID 23938449) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
PubChem CID23938449
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
SMILESCn1c(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc2ccccc21
InChIInChI=1S/C16H14ClN3O3S/c1-20-14-6-4-3-5-13(14)18-16(20)19-15(21)11-8-7-10(9-12(11)17)24(2,22)23/h3-9H,1-2H3,(H,18,19,21)
InChIKeyYDXUVMROLRTOTP-UHFFFAOYSA-N
XLogP2.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455
2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide
CID 4226202
4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
CID 5175893
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358125
2-chloro-N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methylsulfonylbenzamide
CID 146146659
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide
CID 174982154
N-[3-(1-benzothiophen-2-yl)phenyl]-2-chloro-4-methylsulfonylbenzamide
CID 142392205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide (CID 23938449) is 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide is Cn1c(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide?
The InChIKey is YDXUVMROLRTOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-20-14-6-4-3-5-13(14)18-16(20)19-15(21)11-8-7-10(9-12(11)17)24(2,22)23/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide?
2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide has a molecular weight of 363.83 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 23938449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).