1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol

C16H14ClN3O — CID 109411423

IUPAC1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
SMILESOC(Cn1ccnc1-c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-14-5-3-12(4-6-14)15(21)11-20-9-8-19-16(20)13-2-1-7-18-10-13/h1-10,15,21H,11H2
InChIKeyYMWWOQUITJLJSP-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol

1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol (PubChem CID 109411423) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
PubChem CID109411423
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
SMILESOC(Cn1ccnc1-c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-14-5-3-12(4-6-14)15(21)11-20-9-8-19-16(20)13-2-1-7-18-10-13/h1-10,15,21H,11H2
InChIKeyYMWWOQUITJLJSP-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
1-pyridin-3-yl-2-(2-pyridin-4-ylimidazol-1-yl)ethanol
CID 70721156
1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 62265055
1-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110884756
(1R)-2-[2-[5-(2-chlorophenyl)furan-2-yl]imidazol-1-yl]-1-pyridin-3-ylethanol
CID 95216864
1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol
CID 70465219
1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 111440105
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
CID 96572239
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol (CID 109411423) is 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol is OC(Cn1ccnc1-c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The InChIKey is YMWWOQUITJLJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-5-3-12(4-6-14)15(21)11-20-9-8-19-16(20)13-2-1-7-18-10-13/h1-10,15,21H,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol has a molecular weight of 299.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 109411423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).