(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol

C11H11ClN2O — CID 174510174

IUPAC(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol
SMILESC[C@@H](O)n1cnc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C11H11ClN2O/c1-8(15)14-6-11(13-7-14)9-3-2-4-10(12)5-9/h2-8,15H,1H3/t8-/m1/s1
InChIKeyOJEUWYPGYNEUFQ-MRVPVSSYSA-N
MW222.68 g/mol
LogP2.71
Rot. Bonds2

About (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol

(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol (PubChem CID 174510174) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol
PubChem CID174510174
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol
SMILESC[C@@H](O)n1cnc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C11H11ClN2O/c1-8(15)14-6-11(13-7-14)9-3-2-4-10(12)5-9/h2-8,15H,1H3/t8-/m1/s1
InChIKeyOJEUWYPGYNEUFQ-MRVPVSSYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol?
The IUPAC name of (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol (CID 174510174) is (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol is C[C@@H](O)n1cnc(-c2cccc(Cl)c2)c1.
What is the InChIKey of (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol?
The InChIKey is OJEUWYPGYNEUFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8(15)14-6-11(13-7-14)9-3-2-4-10(12)5-9/h2-8,15H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol?
(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol has a molecular weight of 222.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 174510174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).