2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride

C20H23ClN2O — CID 23622885

IUPAC2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc(CCc2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16,20,23H,7-8H2,1H3;1H
InChIKeyUXLRBCYDGGFXFC-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.38
Rot. Bonds6

About 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride

2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 23622885) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID23622885
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc(CCc2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16,20,23H,7-8H2,1H3;1H
InChIKeyUXLRBCYDGGFXFC-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.38
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-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride (CID 23622885) is 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride is CC(C(O)c1ccc(CCc2ccccc2)cc1)n1ccnc1.Cl.
What is the InChIKey of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is UXLRBCYDGGFXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16,20,23H,7-8H2,1H3;1H.
What are the key properties of 2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride?
2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 4.38, 6 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-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 23622885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).