2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol

C23H21N3O2 — CID 14988709

IUPAC2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
SMILESCOc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-22-8-6-21(7-9-22)23(27,16-26-15-14-25-17-26)20-4-2-18(3-5-20)19-10-12-24-13-11-19/h2-15,17,27H,16H2,1H3
InChIKeyXXVSCXWFPLJIDG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.89
Rot. Bonds6

About 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol

2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol (PubChem CID 14988709) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
PubChem CID14988709
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
SMILESCOc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-22-8-6-21(7-9-22)23(27,16-26-15-14-25-17-26)20-4-2-18(3-5-20)19-10-12-24-13-11-19/h2-15,17,27H,16H2,1H3
InChIKeyXXVSCXWFPLJIDG-UHFFFAOYSA-N
XLogP3.89
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol (CID 14988709) is 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol is COc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
The InChIKey is XXVSCXWFPLJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-22-8-6-21(7-9-22)23(27,16-26-15-14-25-17-26)20-4-2-18(3-5-20)19-10-12-24-13-11-19/h2-15,17,27H,16H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol has a molecular weight of 371.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).