1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol

C20H17F3N4O — CID 122510783

IUPAC1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol
SMILESCC(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C20H17F3N4O/c1-12(28)16-8-24-18-7-4-14(9-27(16)18)20-19(13-2-5-15(21)6-3-13)25-11-26(20)10-17(22)23/h2-9,11-12,17,28H,10H2,1H3
InChIKeyAJMJULFOMPECGE-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.32
Rot. Bonds5

About 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol

1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol (PubChem CID 122510783) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol
PubChem CID122510783
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol
SMILESCC(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C20H17F3N4O/c1-12(28)16-8-24-18-7-4-14(9-27(16)18)20-19(13-2-5-15(21)6-3-13)25-11-26(20)10-17(22)23/h2-9,11-12,17,28H,10H2,1H3
InChIKeyAJMJULFOMPECGE-UHFFFAOYSA-N
XLogP4.32
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol?
The IUPAC name of 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol (CID 122510783) is 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol.
What is the SMILES notation for 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol?
The canonical SMILES for 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol is CC(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol?
The InChIKey is AJMJULFOMPECGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12(28)16-8-24-18-7-4-14(9-27(16)18)20-19(13-2-5-15(21)6-3-13)25-11-26(20)10-17(22)23/h2-9,11-12,17,28H,10H2,1H3.
What are the key properties of 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol?
1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol has a molecular weight of 386.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]ethanol is sourced from PubChem (CID 122510783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).