1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol

C24H28F3N3O3 — CID 25153062

IUPAC1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol
SMILESCOc1ccc(CC(C)(C)F)cc1C(O)(Cn1cnc(C)c1)c1ccc(OCC(F)F)cn1
InChIInChI=1S/C24H28F3N3O3/c1-16-12-30(15-29-16)14-24(31,21-8-6-18(11-28-21)33-13-22(25)26)19-9-17(10-23(2,3)27)5-7-20(19)32-4/h5-9,11-12,15,22,31H,10,13-14H2,1-4H3
InChIKeyOLEOWHNFYCHUFZ-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.47
Rot. Bonds10

About 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol

1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol (PubChem CID 25153062) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol
PubChem CID25153062
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol
SMILESCOc1ccc(CC(C)(C)F)cc1C(O)(Cn1cnc(C)c1)c1ccc(OCC(F)F)cn1
InChIInChI=1S/C24H28F3N3O3/c1-16-12-30(15-29-16)14-24(31,21-8-6-18(11-28-21)33-13-22(25)26)19-9-17(10-23(2,3)27)5-7-20(19)32-4/h5-9,11-12,15,22,31H,10,13-14H2,1-4H3
InChIKeyOLEOWHNFYCHUFZ-UHFFFAOYSA-N
XLogP4.47
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol?
The IUPAC name of 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol (CID 25153062) is 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol?
The canonical SMILES for 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol is COc1ccc(CC(C)(C)F)cc1C(O)(Cn1cnc(C)c1)c1ccc(OCC(F)F)cn1.
What is the InChIKey of 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol?
The InChIKey is OLEOWHNFYCHUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-16-12-30(15-29-16)14-24(31,21-8-6-18(11-28-21)33-13-22(25)26)19-9-17(10-23(2,3)27)5-7-20(19)32-4/h5-9,11-12,15,22,31H,10,13-14H2,1-4H3.
What are the key properties of 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol?
1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol has a molecular weight of 463.50 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoroethoxy)-2-pyridinyl]-1-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-(4-methylimidazol-1-yl)ethanol is sourced from PubChem (CID 25153062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).