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

C12H13ClN2O — CID 66151440

IUPAC[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol
SMILESCC(c1ccccc1Cl)n1cncc1CO
InChIInChI=1S/C12H13ClN2O/c1-9(11-4-2-3-5-12(11)13)15-8-14-6-10(15)7-16/h2-6,8-9,16H,7H2,1H3
InChIKeyZZAHFTHRZKWUJR-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.64
Rot. Bonds3

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

[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol (PubChem CID 66151440) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol
PubChem CID66151440
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol
SMILESCC(c1ccccc1Cl)n1cncc1CO
InChIInChI=1S/C12H13ClN2O/c1-9(11-4-2-3-5-12(11)13)15-8-14-6-10(15)7-16/h2-6,8-9,16H,7H2,1H3
InChIKeyZZAHFTHRZKWUJR-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol (CID 66151440) is [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol is CC(c1ccccc1Cl)n1cncc1CO.
What is the InChIKey of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol?
The InChIKey is ZZAHFTHRZKWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9(11-4-2-3-5-12(11)13)15-8-14-6-10(15)7-16/h2-6,8-9,16H,7H2,1H3.
What are the key properties of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol?
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol has a molecular weight of 236.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66151440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).