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

C22H24F3N3O — CID 25026641

IUPAC3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1
InChIInChI=1S/C22H24F3N3O/c1-21(2,3)10-17-13-27-19(28-17)11-22(29,20(24)25)15-6-4-14(5-7-15)18-9-8-16(23)12-26-18/h4-9,12-13,20,29H,10-11H2,1-3H3,(H,27,28)
InChIKeyFSWLPYZALXIRGE-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.89
Rot. Bonds6

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

3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 25026641) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID25026641
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1
InChIInChI=1S/C22H24F3N3O/c1-21(2,3)10-17-13-27-19(28-17)11-22(29,20(24)25)15-6-4-14(5-7-15)18-9-8-16(23)12-26-18/h4-9,12-13,20,29H,10-11H2,1-3H3,(H,27,28)
InChIKeyFSWLPYZALXIRGE-UHFFFAOYSA-N
XLogP4.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 25026641) is 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CC(C)(C)Cc1cnc(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1.
What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is FSWLPYZALXIRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-21(2,3)10-17-13-27-19(28-17)11-22(29,20(24)25)15-6-4-14(5-7-15)18-9-8-16(23)12-26-18/h4-9,12-13,20,29H,10-11H2,1-3H3,(H,27,28).
What are the key properties of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 403.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 25026641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).