2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole

C14H10ClFN2O2S — CID 81265420

IUPAC2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cccc(Cl)c3F)[nH]c2c1
InChIInChI=1S/C14H10ClFN2O2S/c1-21(19,20)8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,18)
InChIKeyOTQIXORNSYOSCS-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.43
Rot. Bonds2

About 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole

2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole (PubChem CID 81265420) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
PubChem CID81265420
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cccc(Cl)c3F)[nH]c2c1
InChIInChI=1S/C14H10ClFN2O2S/c1-21(19,20)8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,18)
InChIKeyOTQIXORNSYOSCS-UHFFFAOYSA-N
XLogP3.43
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole (CID 81265420) is 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(-c3cccc(Cl)c3F)[nH]c2c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is OTQIXORNSYOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-21(19,20)8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 324.76 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 81265420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).