1-imidazol-1-yl-4,4-diphenylbutan-2-one

C19H18N2O — CID 58580486

IUPAC1-imidazol-1-yl-4,4-diphenylbutan-2-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1
InChIInChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
InChIKeySRAWFXXOZVYZRX-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.67
Rot. Bonds6

About 1-imidazol-1-yl-4,4-diphenylbutan-2-one

1-imidazol-1-yl-4,4-diphenylbutan-2-one (PubChem CID 58580486) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-imidazol-1-yl-4,4-diphenylbutan-2-one.

Molecular Properties

Compound Name1-imidazol-1-yl-4,4-diphenylbutan-2-one
PubChem CID58580486
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-imidazol-1-yl-4,4-diphenylbutan-2-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1
InChIInChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
InChIKeySRAWFXXOZVYZRX-UHFFFAOYSA-N
XLogP3.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-4,4-diphenylbutan-2-one?
The IUPAC name of 1-imidazol-1-yl-4,4-diphenylbutan-2-one (CID 58580486) is 1-imidazol-1-yl-4,4-diphenylbutan-2-one.
What is the SMILES notation for 1-imidazol-1-yl-4,4-diphenylbutan-2-one?
The canonical SMILES for 1-imidazol-1-yl-4,4-diphenylbutan-2-one is O=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-4,4-diphenylbutan-2-one?
The InChIKey is SRAWFXXOZVYZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2.
What are the key properties of 1-imidazol-1-yl-4,4-diphenylbutan-2-one?
1-imidazol-1-yl-4,4-diphenylbutan-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-4,4-diphenylbutan-2-one is sourced from PubChem (CID 58580486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).