2-imidazol-1-yl-1-phenylethanol;hydrochloride

C11H13ClN2O — CID 45265543

IUPAC2-imidazol-1-yl-1-phenylethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H12N2O.ClH/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;/h1-7,9,11,14H,8H2;1H
InChIKeyBTEJZCSTUIDBMN-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.04
Rot. Bonds3

About 2-imidazol-1-yl-1-phenylethanol;hydrochloride

2-imidazol-1-yl-1-phenylethanol;hydrochloride (PubChem CID 45265543) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-phenylethanol;hydrochloride
PubChem CID45265543
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-imidazol-1-yl-1-phenylethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H12N2O.ClH/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;/h1-7,9,11,14H,8H2;1H
InChIKeyBTEJZCSTUIDBMN-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-phenylethanol;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-phenylethanol;hydrochloride (CID 45265543) is 2-imidazol-1-yl-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-phenylethanol;hydrochloride is Cl.OC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 2-imidazol-1-yl-1-phenylethanol;hydrochloride?
The InChIKey is BTEJZCSTUIDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;/h1-7,9,11,14H,8H2;1H.
What are the key properties of 2-imidazol-1-yl-1-phenylethanol;hydrochloride?
2-imidazol-1-yl-1-phenylethanol;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-phenylethanol;hydrochloride is sourced from PubChem (CID 45265543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).