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

C24H30FN3O — CID 59161950

IUPAC1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol
SMILESCCC(C)(C)Cc1cnc(CC(O)(CC)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C24H30FN3O/c1-5-23(3,4)13-20-16-27-22(28-20)14-24(29,6-2)18-9-7-17(8-10-18)21-12-11-19(25)15-26-21/h7-12,15-16,29H,5-6,13-14H2,1-4H3,(H,27,28)
InChIKeyWOZYCYPRSUDEKJ-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.43
Rot. Bonds8

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

1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol (PubChem CID 59161950) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol
PubChem CID59161950
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol
SMILESCCC(C)(C)Cc1cnc(CC(O)(CC)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C24H30FN3O/c1-5-23(3,4)13-20-16-27-22(28-20)14-24(29,6-2)18-9-7-17(8-10-18)21-12-11-19(25)15-26-21/h7-12,15-16,29H,5-6,13-14H2,1-4H3,(H,27,28)
InChIKeyWOZYCYPRSUDEKJ-UHFFFAOYSA-N
XLogP5.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.43
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-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol (CID 59161950) is 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol is CCC(C)(C)Cc1cnc(CC(O)(CC)c2ccc(-c3ccc(F)cn3)cc2)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol?
The InChIKey is WOZYCYPRSUDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-5-23(3,4)13-20-16-27-22(28-20)14-24(29,6-2)18-9-7-17(8-10-18)21-12-11-19(25)15-26-21/h7-12,15-16,29H,5-6,13-14H2,1-4H3,(H,27,28).
What are the key properties of 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol?
1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol has a molecular weight of 395.52 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]butan-2-ol is sourced from PubChem (CID 59161950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).