2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole

C14H10Cl2N2O2S — CID 62067790

IUPAC2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-21(19,20)9-3-5-12-13(7-9)18-14(17-12)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,17,18)
InChIKeyIIZPTFFJXZEUFP-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.94
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole

2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole (PubChem CID 62067790) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
PubChem CID62067790
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-21(19,20)9-3-5-12-13(7-9)18-14(17-12)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,17,18)
InChIKeyIIZPTFFJXZEUFP-UHFFFAOYSA-N
XLogP3.94
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 81265420
2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069162
5-chloro-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62069000
2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068547
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
CID 23085615
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole (CID 62067790) is 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is IIZPTFFJXZEUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-21(19,20)9-3-5-12-13(7-9)18-14(17-12)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole?
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 341.22 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 62067790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).