[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone

C24H19N3O — CID 159075066

IUPAC[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone
SMILESCc1ccc(-n2cnc(N=Cc3ccccc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19N3O/c1-18-12-14-21(15-13-18)27-17-26-24(25-16-19-8-4-2-5-9-19)22(27)23(28)20-10-6-3-7-11-20/h2-17H,1H3
InChIKeyKPAMHZJATRYCBX-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.16
Rot. Bonds5

About [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone

[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone (PubChem CID 159075066) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone
PubChem CID159075066
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone
SMILESCc1ccc(-n2cnc(N=Cc3ccccc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19N3O/c1-18-12-14-21(15-13-18)27-17-26-24(25-16-19-8-4-2-5-9-19)22(27)23(28)20-10-6-3-7-11-20/h2-17H,1H3
InChIKeyKPAMHZJATRYCBX-UHFFFAOYSA-N
XLogP5.16
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone (CID 159075066) is [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone is Cc1ccc(-n2cnc(N=Cc3ccccc3)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone?
The InChIKey is KPAMHZJATRYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-18-12-14-21(15-13-18)27-17-26-24(25-16-19-8-4-2-5-9-19)22(27)23(28)20-10-6-3-7-11-20/h2-17H,1H3.
What are the key properties of [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone?
[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone has a molecular weight of 365.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone is sourced from PubChem (CID 159075066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).