1-[(2-chlorophenyl)methylsulfonyl]benzimidazole

C14H11ClN2O2S — CID 3918041

IUPAC1-[(2-chlorophenyl)methylsulfonyl]benzimidazole
SMILESO=S(=O)(Cc1ccccc1Cl)n1cnc2ccccc21
InChIInChI=1S/C14H11ClN2O2S/c15-12-6-2-1-5-11(12)9-20(18,19)17-10-16-13-7-3-4-8-14(13)17/h1-8,10H,9H2
InChIKeyFQUPTZUPIWTJIH-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.07
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole

1-[(2-chlorophenyl)methylsulfonyl]benzimidazole (PubChem CID 3918041) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]benzimidazole
PubChem CID3918041
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]benzimidazole
SMILESO=S(=O)(Cc1ccccc1Cl)n1cnc2ccccc21
InChIInChI=1S/C14H11ClN2O2S/c15-12-6-2-1-5-11(12)9-20(18,19)17-10-16-13-7-3-4-8-14(13)17/h1-8,10H,9H2
InChIKeyFQUPTZUPIWTJIH-UHFFFAOYSA-N
XLogP3.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
4-(2-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998780
2-[(2-chlorobenzyl)thio]-1-methyl-1H-benzimidazole
CID 673922
N-(2-chlorobenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 936609
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
2-(2-chlorophenyl)-1H-1,3-benzimidazol-1-ol
CID 3633777
2-[(4-Chlorophenyl)methylsulfonyl]-1-methylbenzimidazole
CID 749163
1-(Benzenesulfonyl)benzimidazole
CID 700150
1-(2,4-Dimethyl-benzenesulfonyl)-1H-benzoimidazole
CID 712653

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole (CID 3918041) is 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole is O=S(=O)(Cc1ccccc1Cl)n1cnc2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole?
The InChIKey is FQUPTZUPIWTJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-12-6-2-1-5-11(12)9-20(18,19)17-10-16-13-7-3-4-8-14(13)17/h1-8,10H,9H2.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole?
1-[(2-chlorophenyl)methylsulfonyl]benzimidazole has a molecular weight of 306.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]benzimidazole is sourced from PubChem (CID 3918041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).