(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone

C23H18N2O — CID 78582219

IUPAC(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2cnc(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C23H18N2O/c1-17-9-8-14-20(15-17)23(26)25-16-24-21(18-10-4-2-5-11-18)22(25)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyUCNANUQAPDLYEN-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.21
Rot. Bonds3

About (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone

(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone (PubChem CID 78582219) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone
PubChem CID78582219
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2cnc(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C23H18N2O/c1-17-9-8-14-20(15-17)23(26)25-16-24-21(18-10-4-2-5-11-18)22(25)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyUCNANUQAPDLYEN-UHFFFAOYSA-N
XLogP5.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone (CID 78582219) is (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)n2cnc(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone?
The InChIKey is UCNANUQAPDLYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-17-9-8-14-20(15-17)23(26)25-16-24-21(18-10-4-2-5-11-18)22(25)19-12-6-3-7-13-19/h2-16H,1H3.
What are the key properties of (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone?
(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone has a molecular weight of 338.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 78582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).