4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one

C19H18N2O — CID 25141760

IUPAC4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one
SMILESO=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C19H18N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
InChIKeyMUEUUZLZNIURSF-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.75
Rot. Bonds6

About 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one

4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one (PubChem CID 25141760) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one.

Molecular Properties

Compound Name4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one
PubChem CID25141760
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one
SMILESO=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C19H18N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
InChIKeyMUEUUZLZNIURSF-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one?
The IUPAC name of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one (CID 25141760) is 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one.
What is the SMILES notation for 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one?
The canonical SMILES for 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one is O=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1.
What is the InChIKey of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one?
The InChIKey is MUEUUZLZNIURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15H,11-13H2.
What are the key properties of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one?
4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-one is sourced from PubChem (CID 25141760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).