2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide

C20H14ClN3O2S — CID 10135342

IUPAC2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O2S/c21-14-4-8-16(9-5-14)27(26)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKeyXRGRHEXRUIGNAM-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide

2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10135342) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10135342
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC Name2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O2S/c21-14-4-8-16(9-5-14)27(26)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKeyXRGRHEXRUIGNAM-UHFFFAOYSA-N
XLogP4.15
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 1342009
2-[4-(3,4-Dichloro-phenylsulfamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10115542
2-[4-(4-Chloro-phenylsulfanyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177780
2-[4-(4-Chloro-benzenesulfonyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10179864
2-[4-(4-Chloro-phenylsulfamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10180876
2-(4''''-Chloro-biphenyl-4-yl)-1H-benzoimidazole-5-carboxylic acid amide
CID 10269200
2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-yl]-N-(2''-methanesulfonyl-biphenyl-4-yl)-acetamide
CID 10346646
2-[4-(4-Chloro-phenylcarbamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 11443510
N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 25066983
2-[(1R)-1-[(4-chlorophenyl)sulfonylamino]ethyl]-1-ethylbenzimidazole-5-carboxamide
CID 59177097
N-(5-{2-[(2-Chlorophenyl)amino]-6-oxo-1,6-dihydro-4-pyrimidinyl}-1H-benzimidazol-2-yl)-4-[(dipropylamino)sulfonyl]benzamide
CID 135540581
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide
CID 875961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide (CID 10135342) is 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(S(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is XRGRHEXRUIGNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c21-14-4-8-16(9-5-14)27(26)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24).
What are the key properties of 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfinylphenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10135342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).