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

C16H14ClN3O — CID 97327102

IUPAC(1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
SMILESO[C@@H](Cn1ccnc1-c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c17-14-5-1-3-12(9-14)15(21)11-20-8-7-19-16(20)13-4-2-6-18-10-13/h1-10,15,21H,11H2/t15-/m0/s1
InChIKeyQJAVMBDJGNWVST-HNNXBMFYSA-N
MW299.76 g/mol
LogP3.33
Rot. Bonds4

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

(1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol (PubChem CID 97327102) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
PubChem CID97327102
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
SMILESO[C@@H](Cn1ccnc1-c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c17-14-5-1-3-12(9-14)15(21)11-20-8-7-19-16(20)13-4-2-6-18-10-13/h1-10,15,21H,11H2/t15-/m0/s1
InChIKeyQJAVMBDJGNWVST-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol (CID 97327102) is (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol is O[C@@H](Cn1ccnc1-c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The InChIKey is QJAVMBDJGNWVST-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-5-1-3-12(9-14)15(21)11-20-8-7-19-16(20)13-4-2-6-18-10-13/h1-10,15,21H,11H2/t15-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
(1R)-1-(3-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 (1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 97327102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).