1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol

C22H23F4N3O — CID 68667977

IUPAC1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(c1cnc(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1)C(C)(C)F
InChIInChI=1S/C22H23F4N3O/c1-13(21(2,3)26)18-12-28-19(29-18)10-22(30,20(24)25)15-6-4-14(5-7-15)17-9-8-16(23)11-27-17/h4-9,11-13,20,30H,10H2,1-3H3,(H,28,29)
InChIKeyPKYNJPMEXPSTSU-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.16
Rot. Bonds7

About 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol

1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 68667977) has the molecular formula C22H23F4N3O and a molecular weight of 421.44 g/mol. Its IUPAC name is 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID68667977
Molecular FormulaC22H23F4N3O
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC Name1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(c1cnc(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1)C(C)(C)F
InChIInChI=1S/C22H23F4N3O/c1-13(21(2,3)26)18-12-28-19(29-18)10-22(30,20(24)25)15-6-4-14(5-7-15)17-9-8-16(23)11-27-17/h4-9,11-13,20,30H,10H2,1-3H3,(H,28,29)
InChIKeyPKYNJPMEXPSTSU-UHFFFAOYSA-N
XLogP5.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.44
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol 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 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 68667977) is 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CC(c1cnc(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1)C(C)(C)F.
What is the InChIKey of 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is PKYNJPMEXPSTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O/c1-13(21(2,3)26)18-12-28-19(29-18)10-22(30,20(24)25)15-6-4-14(5-7-15)17-9-8-16(23)11-27-17/h4-9,11-13,20,30H,10H2,1-3H3,(H,28,29).
What are the key properties of 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 421.44 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 68667977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).