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

C23H27F2N3O — CID 59161937

IUPAC1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCCC(F)(CC)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C23H27F2N3O/c1-4-23(25,5-2)12-19-15-27-21(28-19)13-22(3,29)17-8-6-16(7-9-17)20-11-10-18(24)14-26-20/h6-11,14-15,29H,4-5,12-13H2,1-3H3,(H,27,28)
InChIKeyZEOQXZOPIWBTCN-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.13
Rot. Bonds8

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

1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 59161937) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID59161937
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCCC(F)(CC)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C23H27F2N3O/c1-4-23(25,5-2)12-19-15-27-21(28-19)13-22(3,29)17-8-6-16(7-9-17)20-11-10-18(24)14-26-20/h6-11,14-15,29H,4-5,12-13H2,1-3H3,(H,27,28)
InChIKeyZEOQXZOPIWBTCN-UHFFFAOYSA-N
XLogP5.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 59161937) is 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CCC(F)(CC)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1.
What is the InChIKey of 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is ZEOQXZOPIWBTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-4-23(25,5-2)12-19-15-27-21(28-19)13-22(3,29)17-8-6-16(7-9-17)20-11-10-18(24)14-26-20/h6-11,14-15,29H,4-5,12-13H2,1-3H3,(H,27,28).
What are the key properties of 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 399.49 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethyl-2-fluorobutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 59161937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).