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

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Related Compounds

CID 9860166
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CID 21717336
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CID 142401390
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CID 154605094
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CID 44579402
CID 44579402
CID 46911628
CID 46911628
CID 14988709
CID 14988709
CID 78319942
CID 78319942
CID 78319943
CID 78319943
CID 78320558
CID 78320558
CID 78320559
CID 78320559
CID 90355009
CID 90355009

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).