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

C24H30FN3O — CID 59161932

IUPAC1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCCc1nc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]c1CC(C)(C)C
InChIInChI=1S/C24H30FN3O/c1-6-19-21(13-23(2,3)4)28-22(27-19)14-24(5,29)17-9-7-16(8-10-17)20-12-11-18(25)15-26-20/h7-12,15,29H,6,13-14H2,1-5H3,(H,27,28)
InChIKeyIGVNWQUCSZJQAU-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.21
Rot. Bonds6

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

1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 59161932) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID59161932
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCCc1nc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]c1CC(C)(C)C
InChIInChI=1S/C24H30FN3O/c1-6-19-21(13-23(2,3)4)28-22(27-19)14-24(5,29)17-9-7-16(8-10-17)20-12-11-18(25)15-26-20/h7-12,15,29H,6,13-14H2,1-5H3,(H,27,28)
InChIKeyIGVNWQUCSZJQAU-UHFFFAOYSA-N
XLogP5.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.21
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)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 59161932) is 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CCc1nc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]c1CC(C)(C)C.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is IGVNWQUCSZJQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-6-19-21(13-23(2,3)4)28-22(27-19)14-24(5,29)17-9-7-16(8-10-17)20-12-11-18(25)15-26-20/h7-12,15,29H,6,13-14H2,1-5H3,(H,27,28).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 395.52 g/mol, XLogP of 5.21, 6 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)-4-ethyl-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 59161932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).