5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine

C19H15FN4O2S — CID 44525310

IUPAC5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H15FN4O2S/c1-27(25,26)14-5-6-16-17(9-14)24-19(23-16)15-8-12(10-22-18(15)21)11-3-2-4-13(20)7-11/h2-10H,1H3,(H2,21,22)(H,23,24)
InChIKeyZSZDKYPBPAXYNW-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.42
Rot. Bonds3

About 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine

5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine (PubChem CID 44525310) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
PubChem CID44525310
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H15FN4O2S/c1-27(25,26)14-5-6-16-17(9-14)24-19(23-16)15-8-12(10-22-18(15)21)11-3-2-4-13(20)7-11/h2-10H,1H3,(H2,21,22)(H,23,24)
InChIKeyZSZDKYPBPAXYNW-UHFFFAOYSA-N
XLogP3.42
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 81265420
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068547
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136751588
5-chloro-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62069000
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 75391029
3-(1H-benzimidazol-2-yl)-5-pyridin-4-ylpyridin-2-amine
CID 50923466
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069162

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine (CID 44525310) is 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine is CS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4)cnc3N)[nH]c2c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The InChIKey is ZSZDKYPBPAXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-27(25,26)14-5-6-16-17(9-14)24-19(23-16)15-8-12(10-22-18(15)21)11-3-2-4-13(20)7-11/h2-10H,1H3,(H2,21,22)(H,23,24).
What are the key properties of 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine has a molecular weight of 382.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 44525310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).