2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride

C18H19ClN2O — CID 45262803

IUPAC2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc(-c2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-14(20-12-11-19-13-20)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-14,18,21H,1H3;1H
InChIKeyCXVYHVRNSQXTQO-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.27
Rot. Bonds4

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

2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride (PubChem CID 45262803) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride
PubChem CID45262803
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc(-c2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-14(20-12-11-19-13-20)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-14,18,21H,1H3;1H
InChIKeyCXVYHVRNSQXTQO-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.27
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)propan-1-ol;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride (CID 45262803) is 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride is CC(C(O)c1ccc(-c2ccccc2)cc1)n1ccnc1.Cl.
What is the InChIKey of 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride?
The InChIKey is CXVYHVRNSQXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-14(20-12-11-19-13-20)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-14,18,21H,1H3;1H.
What are the key properties of 2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride?
2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 4.27, 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)propan-1-ol;hydrochloride is sourced from PubChem (CID 45262803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).