1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol

C17H15ClN2O — CID 142004083

IUPAC1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cncn1-c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-17(21,13-7-3-2-4-8-13)16-11-19-12-20(16)15-10-6-5-9-14(15)18/h2-12,21H,1H3
InChIKeyZQCMIACFGAPQPT-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.78
Rot. Bonds3

About 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol

1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol (PubChem CID 142004083) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
PubChem CID142004083
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cncn1-c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-17(21,13-7-3-2-4-8-13)16-11-19-12-20(16)15-10-6-5-9-14(15)18/h2-12,21H,1H3
InChIKeyZQCMIACFGAPQPT-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol?
The IUPAC name of 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol (CID 142004083) is 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol?
The canonical SMILES for 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol is CC(O)(c1ccccc1)c1cncn1-c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol?
The InChIKey is ZQCMIACFGAPQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-17(21,13-7-3-2-4-8-13)16-11-19-12-20(16)15-10-6-5-9-14(15)18/h2-12,21H,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol?
1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol has a molecular weight of 298.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 142004083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).