2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole

C16H16N2O2S — CID 62067938

IUPAC2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCc1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1C
InChIInChI=1S/C16H16N2O2S/c1-10-5-4-6-13(11(10)2)16-17-14-8-7-12(21(3,19)20)9-15(14)18-16/h4-9H,1-3H3,(H,17,18)
InChIKeyYIAGBBQLDDSZDG-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.25
Rot. Bonds2

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

2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole (PubChem CID 62067938) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
PubChem CID62067938
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCc1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1C
InChIInChI=1S/C16H16N2O2S/c1-10-5-4-6-13(11(10)2)16-17-14-8-7-12(21(3,19)20)9-15(14)18-16/h4-9H,1-3H3,(H,17,18)
InChIKeyYIAGBBQLDDSZDG-UHFFFAOYSA-N
XLogP3.25
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 81265420
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136751588
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
4-iodo-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136885876
5-chloro-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62069000
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 44525310

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole (CID 62067938) is 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole is Cc1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is YIAGBBQLDDSZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-5-4-6-13(11(10)2)16-17-14-8-7-12(21(3,19)20)9-15(14)18-16/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole?
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 300.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 62067938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).