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

C15H11BrF3N3O2S — CID 146540995

IUPAC2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(Br)cc2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C15H11BrF3N3O2S/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)25(2,23)24/h3-7H,1-2H3
InChIKeyQKTNTUDHICTLRO-UHFFFAOYSA-N
MW434.24 g/mol
LogP3.82
Rot. Bonds2

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

2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 146540995) has the molecular formula C15H11BrF3N3O2S and a molecular weight of 434.24 g/mol. Its IUPAC name is 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID146540995
Molecular FormulaC15H11BrF3N3O2S
Molecular Weight434.24 g/mol
Exact Mass432.97
IUPAC Name2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(Br)cc2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C15H11BrF3N3O2S/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)25(2,23)24/h3-7H,1-2H3
InChIKeyQKTNTUDHICTLRO-UHFFFAOYSA-N
XLogP3.82
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-2-methylsulfonylphenyl)-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

Related Compounds

3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 145096420
2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118893093
[5-bromo-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 176948918
2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 146541024
5-ethylsulfonyl-2-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-benzothiazole
CID 121405277
ethyl-[3-ethyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)benzimidazol-5-yl]-imino-oxo-λ6-sulfane
CID 162613781
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
CID 160888396
6-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 158918962
4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 122646789
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 146540995) is 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is Cn1c(-c2ccc(Br)cc2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21.
What is the InChIKey of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is QKTNTUDHICTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3O2S/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)25(2,23)24/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 434.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 146540995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).