2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C14H13BrF3N5S — CID 135222430

IUPAC2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(Br)n1C
InChIInChI=1S/C14H13BrF3N5S/c1-4-24-12-10(21-13(15)23(12)3)11-20-7-5-9(14(16,17)18)19-6-8(7)22(11)2/h5-6H,4H2,1-3H3
InChIKeyMNVAPLSFTZVXOA-UHFFFAOYSA-N
MW420.26 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135222430) has the molecular formula C14H13BrF3N5S and a molecular weight of 420.26 g/mol. Its IUPAC name is 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135222430
Molecular FormulaC14H13BrF3N5S
Molecular Weight420.26 g/mol
Exact Mass419.00
IUPAC Name2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(Br)n1C
InChIInChI=1S/C14H13BrF3N5S/c1-4-24-12-10(21-13(15)23(12)3)11-20-7-5-9(14(16,17)18)19-6-8(7)22(11)2/h5-6H,4H2,1-3H3
InChIKeyMNVAPLSFTZVXOA-UHFFFAOYSA-N
XLogP4.26
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135222430) is 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(Br)n1C.
What is the InChIKey of 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is MNVAPLSFTZVXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N5S/c1-4-24-12-10(21-13(15)23(12)3)11-20-7-5-9(14(16,17)18)19-6-8(7)22(11)2/h5-6H,4H2,1-3H3.
What are the key properties of 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 420.26 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135222430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).