1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol

C22H17F2N3O — CID 14988711

IUPAC1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol
SMILESOC(Cn1ccnc1)(c1ccc(-c2cccnc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N3O/c23-19-7-8-20(21(24)12-19)22(28,14-27-11-10-26-15-27)18-5-3-16(4-6-18)17-2-1-9-25-13-17/h1-13,15,28H,14H2
InChIKeyLYHARONQVFKMQL-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol

1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol (PubChem CID 14988711) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol
PubChem CID14988711
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol
SMILESOC(Cn1ccnc1)(c1ccc(-c2cccnc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N3O/c23-19-7-8-20(21(24)12-19)22(28,14-27-11-10-26-15-27)18-5-3-16(4-6-18)17-2-1-9-25-13-17/h1-13,15,28H,14H2
InChIKeyLYHARONQVFKMQL-UHFFFAOYSA-N
XLogP4.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol (CID 14988711) is 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol is OC(Cn1ccnc1)(c1ccc(-c2cccnc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol?
The InChIKey is LYHARONQVFKMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-19-7-8-20(21(24)12-19)22(28,14-27-11-10-26-15-27)18-5-3-16(4-6-18)17-2-1-9-25-13-17/h1-13,15,28H,14H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol?
1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol has a molecular weight of 377.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol is sourced from PubChem (CID 14988711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).