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

C19H15F3N4O — CID 122510829

IUPAC[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESOCc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C19H15F3N4O/c20-14-4-1-12(2-5-14)18-19(25(11-24-18)9-16(21)22)13-3-6-17-23-7-15(10-27)26(17)8-13/h1-8,11,16,27H,9-10H2
InChIKeySFSZSKVAUNDFNG-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.76
Rot. Bonds5

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

[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 122510829) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID122510829
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESOCc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C19H15F3N4O/c20-14-4-1-12(2-5-14)18-19(25(11-24-18)9-16(21)22)13-3-6-17-23-7-15(10-27)26(17)8-13/h1-8,11,16,27H,9-10H2
InChIKeySFSZSKVAUNDFNG-UHFFFAOYSA-N
XLogP3.76
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 122510829) is [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol is OCc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is SFSZSKVAUNDFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-14-4-1-12(2-5-14)18-19(25(11-24-18)9-16(21)22)13-3-6-17-23-7-15(10-27)26(17)8-13/h1-8,11,16,27H,9-10H2.
What are the key properties of [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 372.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 122510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).