1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol

C12H13ClN2O — CID 162671585

IUPAC1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-9(16)12-14-6-7-15(12)8-10-2-4-11(13)5-3-10/h2-7,9,16H,8H2,1H3
InChIKeyVQCIPCWNZCSMOF-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.64
Rot. Bonds3

About 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol

1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol (PubChem CID 162671585) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol
PubChem CID162671585
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-9(16)12-14-6-7-15(12)8-10-2-4-11(13)5-3-10/h2-7,9,16H,8H2,1H3
InChIKeyVQCIPCWNZCSMOF-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 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol (CID 162671585) is 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol is CC(O)c1nccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol?
The InChIKey is VQCIPCWNZCSMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9(16)12-14-6-7-15(12)8-10-2-4-11(13)5-3-10/h2-7,9,16H,8H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol?
1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol 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 1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 162671585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).