2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C15H11ClF3N3OS — CID 146541024

IUPAC2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(Cl)cc2S(C)=O)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C15H11ClF3N3OS/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)24(2)23/h3-7H,1-2H3
InChIKeyBAHNFTXVHOZVST-UHFFFAOYSA-N
MW373.79 g/mol
LogP4.04
Rot. Bonds2

About 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 146541024) has the molecular formula C15H11ClF3N3OS and a molecular weight of 373.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID146541024
Molecular FormulaC15H11ClF3N3OS
Molecular Weight373.79 g/mol
Exact Mass373.03
IUPAC Name2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(Cl)cc2S(C)=O)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C15H11ClF3N3OS/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)24(2)23/h3-7H,1-2H3
InChIKeyBAHNFTXVHOZVST-UHFFFAOYSA-N
XLogP4.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 146541024) is 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is Cn1c(-c2ccc(Cl)cc2S(C)=O)nc2cc(C(F)(F)F)ncc21.
What is the InChIKey of 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is BAHNFTXVHOZVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3OS/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)24(2)23/h3-7H,1-2H3.
What are the key properties of 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 373.79 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 146541024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).