1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

C23H21N3O2 — CID 14988703

IUPAC1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOCc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H21N3O2/c27-15-18-1-5-21(6-2-18)23(28,16-26-14-13-25-17-26)22-7-3-19(4-8-22)20-9-11-24-12-10-20/h1-14,17,27-28H,15-16H2
InChIKeyWFMKOULAYUNIIA-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.37
Rot. Bonds6

About 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (PubChem CID 14988703) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
PubChem CID14988703
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOCc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H21N3O2/c27-15-18-1-5-21(6-2-18)23(28,16-26-14-13-25-17-26)22-7-3-19(4-8-22)20-9-11-24-12-10-20/h1-14,17,27-28H,15-16H2
InChIKeyWFMKOULAYUNIIA-UHFFFAOYSA-N
XLogP3.37
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
Denzimol hydrochloride
CID 53625
[4-(1H-imidazol-1-yl)phenyl](4-methylphenyl)methanol
CID 3842547
(1-benzyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2870369
5-(p-Hydroxymethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 13688218
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-2-yl)ethanol
CID 45486465
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-4-yl)ethanol
CID 45486485
rac-1-(1H-Imidazol-4-yl)-2-methyl-1-[4-(2-pyridinyl)phenyl]-1-propanol
CID 54582428
US10233190, Example 1502
CID 66558888
Imidazole-1-ethanol, alpha-(4-cyclohexylphenyl)-, monohydrochloride
CID 3059786
1-(3-Benzyl-2-methylimidazol-4-yl)-1-(2-methylphenyl)ethanol
CID 304292

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (CID 14988703) is 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is OCc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The InChIKey is WFMKOULAYUNIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-15-18-1-5-21(6-2-18)23(28,16-26-14-13-25-17-26)22-7-3-19(4-8-22)20-9-11-24-12-10-20/h1-14,17,27-28H,15-16H2.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol has a molecular weight of 371.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).