(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol

C12H13ClN2O — CID 66135580

IUPAC(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-2-15-8-14-7-11(15)12(16)9-5-3-4-6-10(9)13/h3-8,12,16H,2H2,1H3
InChIKeyXLIQTQYQIJGSFF-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.64
Rot. Bonds3

About (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol

(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol (PubChem CID 66135580) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
PubChem CID66135580
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-2-15-8-14-7-11(15)12(16)9-5-3-4-6-10(9)13/h3-8,12,16H,2H2,1H3
InChIKeyXLIQTQYQIJGSFF-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 (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol (CID 66135580) is (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol is CCn1cncc1C(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol?
The InChIKey is XLIQTQYQIJGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-15-8-14-7-11(15)12(16)9-5-3-4-6-10(9)13/h3-8,12,16H,2H2,1H3.
What are the key properties of (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol?
(2-chlorophenyl)-(3-ethylimidazol-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 (2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 66135580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).