6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine

C18H12F4N4 — CID 122510719

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(F)n3c2)cc1
InChIInChI=1S/C18H12F4N4/c19-13-4-1-11(2-5-13)17-18(25(10-24-17)9-14(20)21)12-3-6-16-23-7-15(22)26(16)8-12/h1-8,10,14H,9H2
InChIKeyQBRYOGARJOUITH-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.41
Rot. Bonds4

About 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine (PubChem CID 122510719) has the molecular formula C18H12F4N4 and a molecular weight of 360.31 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine
PubChem CID122510719
Molecular FormulaC18H12F4N4
Molecular Weight360.31 g/mol
Exact Mass360.10
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(F)n3c2)cc1
InChIInChI=1S/C18H12F4N4/c19-13-4-1-11(2-5-13)17-18(25(10-24-17)9-14(20)21)12-3-6-16-23-7-15(22)26(16)8-12/h1-8,10,14H,9H2
InChIKeyQBRYOGARJOUITH-UHFFFAOYSA-N
XLogP4.41
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine (CID 122510719) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine is Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(F)n3c2)cc1.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine?
The InChIKey is QBRYOGARJOUITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4/c19-13-4-1-11(2-5-13)17-18(25(10-24-17)9-14(20)21)12-3-6-16-23-7-15(22)26(16)8-12/h1-8,10,14H,9H2.
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine has a molecular weight of 360.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine is sourced from PubChem (CID 122510719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).