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

C19H18N2O — CID 3057080

IUPAC3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one
SMILESCC(Cn1ccnc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-15(13-21-12-11-20-14-21)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3
InChIKeyOBLKRNUJHYLHHD-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.07
Rot. Bonds5

About 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one

3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one (PubChem CID 3057080) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one
PubChem CID3057080
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one
SMILESCC(Cn1ccnc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-15(13-21-12-11-20-14-21)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3
InChIKeyOBLKRNUJHYLHHD-UHFFFAOYSA-N
XLogP4.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one (CID 3057080) is 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one is CC(Cn1ccnc1)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one?
The InChIKey is OBLKRNUJHYLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-15(13-21-12-11-20-14-21)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one?
3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one has a molecular weight of 290.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 3057080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).