(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine

C24H21N3O — CID 71492481

IUPAC(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
SMILESCc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-12-14-20(15-13-18)23-22(16-25-28-17-19-8-4-2-5-9-19)26-24(27-23)21-10-6-3-7-11-21/h2-16,24H,17H2,1H3/b25-16+
InChIKeyWRYOFRMJMXLLAT-PCLIKHOPSA-N
MW367.45 g/mol
LogP5.14
Rot. Bonds6

About (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine

(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine (PubChem CID 71492481) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
PubChem CID71492481
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
SMILESCc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-12-14-20(15-13-18)23-22(16-25-28-17-19-8-4-2-5-9-19)26-24(27-23)21-10-6-3-7-11-21/h2-16,24H,17H2,1H3/b25-16+
InChIKeyWRYOFRMJMXLLAT-PCLIKHOPSA-N
XLogP5.14
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyloxy-1-methyl-2,6-bis(p-tolyl)piperidin-4-imine
CID 16728364
(E)-1-[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-N-methoxymethanimine
CID 88363706
1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine
CID 139785535
N-[[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]methoxy]-1-phenylethanimine
CID 139785536
1-[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-N-methoxymethanimine
CID 139785538
3-tert-butyl-5-[4-[4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]phenyl]-3-methyl-2H-1,2,4-oxadiazole
CID 142879553
2-Methoxy-1-oxo-2,4,5-triphenyl-2H-1lambda~5~-imidazole
CID 71405490
3-(4-methylphenyl)-5,5-diphenyl-2H-1,2,4-oxadiazole
CID 85837750
5,5-bis(4-methylphenyl)-3-phenyl-2H-1,2,4-oxadiazole
CID 85837763
3,5,5-tris(4-methylphenyl)-2H-1,2,4-oxadiazole
CID 85837765
5-Butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
CID 86248628
5-Cyclohexyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
CID 101776361

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine (CID 71492481) is (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine is Cc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1.
What is the InChIKey of (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The InChIKey is WRYOFRMJMXLLAT-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-12-14-20(15-13-18)23-22(16-25-28-17-19-8-4-2-5-9-19)26-24(27-23)21-10-6-3-7-11-21/h2-16,24H,17H2,1H3/b25-16+.
What are the key properties of (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine has a molecular weight of 367.45 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine is sourced from PubChem (CID 71492481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).