6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine

C21H14ClF3N2S — CID 141419736

IUPAC6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
SMILESCc1cccc(-c2nc3ccc(Cl)cn3c2Sc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H14ClF3N2S/c1-13-3-2-4-14(11-13)19-20(27-12-16(22)7-10-18(27)26-19)28-17-8-5-15(6-9-17)21(23,24)25/h2-12H,1H3
InChIKeyHAILIXLJEYBAPL-UHFFFAOYSA-N
MW418.87 g/mol
LogP7.13
Rot. Bonds3

About 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine

6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine (PubChem CID 141419736) has the molecular formula C21H14ClF3N2S and a molecular weight of 418.87 g/mol. Its IUPAC name is 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
PubChem CID141419736
Molecular FormulaC21H14ClF3N2S
Molecular Weight418.87 g/mol
Exact Mass418.05
IUPAC Name6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
SMILESCc1cccc(-c2nc3ccc(Cl)cn3c2Sc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H14ClF3N2S/c1-13-3-2-4-14(11-13)19-20(27-12-16(22)7-10-18(27)26-19)28-17-8-5-15(6-9-17)21(23,24)25/h2-12H,1H3
InChIKeyHAILIXLJEYBAPL-UHFFFAOYSA-N
XLogP7.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.87
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
3-{2-[(4-Chlorobenzyl)thio]pyrimidin-4-yl}-2-methylimidazo[1,2-a]pyridine
CID 2745488
8-Chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 1485610
8-Chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 2725829
4-[5-(4-Fluoro-phenyl)-3-methyl-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-pyridine
CID 20674619
2-Ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46226434
8-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 155804462
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
6-Chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3586710
6-Chloro-2-[(phenylmethylthio)methyl]imidazo[1,2-a]pyridine
CID 4564792
6-chloro-N-(2,6-dimethylphenyl)-2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 7066869

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine (CID 141419736) is 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine is Cc1cccc(-c2nc3ccc(Cl)cn3c2Sc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
The InChIKey is HAILIXLJEYBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2S/c1-13-3-2-4-14(11-13)19-20(27-12-16(22)7-10-18(27)26-19)28-17-8-5-15(6-9-17)21(23,24)25/h2-12H,1H3.
What are the key properties of 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine has a molecular weight of 418.87 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 141419736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).