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

C22H25F2N3O — CID 59161969

IUPAC1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2F)[nH]1
InChIInChI=1S/C22H25F2N3O/c1-21(2,3)10-16-13-26-20(27-16)11-22(4,28)17-7-5-14(9-18(17)24)19-8-6-15(23)12-25-19/h5-9,12-13,28H,10-11H2,1-4H3,(H,26,27)
InChIKeyPBEOTNHGKVXYRE-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.79
Rot. Bonds5

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

1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 59161969) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID59161969
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2F)[nH]1
InChIInChI=1S/C22H25F2N3O/c1-21(2,3)10-16-13-26-20(27-16)11-22(4,28)17-7-5-14(9-18(17)24)19-8-6-15(23)12-25-19/h5-9,12-13,28H,10-11H2,1-4H3,(H,26,27)
InChIKeyPBEOTNHGKVXYRE-UHFFFAOYSA-N
XLogP4.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 59161969) is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2F)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is PBEOTNHGKVXYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-21(2,3)10-16-13-26-20(27-16)11-22(4,28)17-7-5-14(9-18(17)24)19-8-6-15(23)12-25-19/h5-9,12-13,28H,10-11H2,1-4H3,(H,26,27).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 385.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 59161969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).