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

C19H19ClN2O — CID 3059773

IUPAC2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride
SMILESCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-19(2,21-13-12-20-14-21)18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h3-14H,1-2H3;1H
InChIKeyCXUFMKDZVTWTPN-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.59
Rot. Bonds4

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

2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride (PubChem CID 3059773) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride
PubChem CID3059773
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride
SMILESCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)n1ccnc1.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-19(2,21-13-12-20-14-21)18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h3-14H,1-2H3;1H
InChIKeyCXUFMKDZVTWTPN-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride (CID 3059773) is 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride is CC(C)(C(=O)c1ccc(-c2ccccc2)cc1)n1ccnc1.Cl.
What is the InChIKey of 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
The InChIKey is CXUFMKDZVTWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.ClH/c1-19(2,21-13-12-20-14-21)18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h3-14H,1-2H3;1H.
What are the key properties of 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 3059773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).