2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride

C17H17ClN2O — CID 45265399

IUPAC2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O.ClH/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-11,13,17,20H,12H2;1H
InChIKeyLGEDHIHRELPZDN-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.71
Rot. Bonds4

About 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride

2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride (PubChem CID 45265399) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride
PubChem CID45265399
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride
SMILESCl.OC(Cn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O.ClH/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-11,13,17,20H,12H2;1H
InChIKeyLGEDHIHRELPZDN-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.71
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-(4-phenylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride (CID 45265399) is 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride is Cl.OC(Cn1ccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride?
The InChIKey is LGEDHIHRELPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.ClH/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-11,13,17,20H,12H2;1H.
What are the key properties of 2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride?
2-imidazol-1-yl-1-(4-phenylphenyl)ethanol;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 3.71, 4 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-(4-phenylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 45265399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).