2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol

C19H19FN2O3 — CID 70704619

IUPAC2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol
SMILESCOc1cc(F)c(-c2nccn2CC(O)c2ccccc2)cc1OC
InChIInChI=1S/C19H19FN2O3/c1-24-17-10-14(15(20)11-18(17)25-2)19-21-8-9-22(19)12-16(23)13-6-4-3-5-7-13/h3-11,16,23H,12H2,1-2H3
InChIKeyCOXHHONWKRFPNV-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol

2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol (PubChem CID 70704619) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol
PubChem CID70704619
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol
SMILESCOc1cc(F)c(-c2nccn2CC(O)c2ccccc2)cc1OC
InChIInChI=1S/C19H19FN2O3/c1-24-17-10-14(15(20)11-18(17)25-2)19-21-8-9-22(19)12-16(23)13-6-4-3-5-7-13/h3-11,16,23H,12H2,1-2H3
InChIKeyCOXHHONWKRFPNV-UHFFFAOYSA-N
XLogP3.44
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol (CID 70704619) is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol is COc1cc(F)c(-c2nccn2CC(O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol?
The InChIKey is COXHHONWKRFPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-24-17-10-14(15(20)11-18(17)25-2)19-21-8-9-22(19)12-16(23)13-6-4-3-5-7-13/h3-11,16,23H,12H2,1-2H3.
What are the key properties of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol?
2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol has a molecular weight of 342.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 70704619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).