1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol

C19H15ClF2N2O2 — CID 19913066

IUPAC1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1F)C1(c2ccccc2Cl)CO1
InChIInChI=1S/C19H15ClF2N2O2/c20-16-4-2-1-3-14(16)19(11-26-19)18(25,10-24-8-7-23-12-24)15-6-5-13(21)9-17(15)22/h1-9,12,25H,10-11H2
InChIKeyRBLAIEJDCJTBJY-UHFFFAOYSA-N
MW376.79 g/mol
LogP3.63
Rot. Bonds5

About 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol

1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol (PubChem CID 19913066) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
PubChem CID19913066
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1F)C1(c2ccccc2Cl)CO1
InChIInChI=1S/C19H15ClF2N2O2/c20-16-4-2-1-3-14(16)19(11-26-19)18(25,10-24-8-7-23-12-24)15-6-5-13(21)9-17(15)22/h1-9,12,25H,10-11H2
InChIKeyRBLAIEJDCJTBJY-UHFFFAOYSA-N
XLogP3.63
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 67853018
1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
CID 22285361
(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 10659450
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol
CID 14988711
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3068311
1-[[(2R,4S)-2-(2,4-difluorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]imidazole
CID 10641295
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol (CID 19913066) is 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)(c1ccc(F)cc1F)C1(c2ccccc2Cl)CO1.
What is the InChIKey of 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is RBLAIEJDCJTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c20-16-4-2-1-3-14(16)19(11-26-19)18(25,10-24-8-7-23-12-24)15-6-5-13(21)9-17(15)22/h1-9,12,25H,10-11H2.
What are the key properties of 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 376.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 19913066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).