N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine

C23H22N2 — CID 4649996

IUPACN-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
SMILESCC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C23H22N2/c1-17-14-15-22(16-18(17)2)19(3)24-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3
InChIKeyKVIATUMOSPUQNC-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.57
Rot. Bonds4

About N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine

N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine (PubChem CID 4649996) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
PubChem CID4649996
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
SMILESCC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C23H22N2/c1-17-14-15-22(16-18(17)2)19(3)24-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3
InChIKeyKVIATUMOSPUQNC-UHFFFAOYSA-N
XLogP5.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
CID 21345733
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
(Z)-N-(benzhydrylideneamino)-1-(4-methyl-1,3-thiazol-5-yl)ethanimine
CID 75466690
1-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 74390808
1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 123506865
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
CID 5245817
CID 127025281
CID 127025281

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
The IUPAC name of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine (CID 4649996) is N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine.
What is the SMILES notation for N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
The canonical SMILES for N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine is CC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
The InChIKey is KVIATUMOSPUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-17-14-15-22(16-18(17)2)19(3)24-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3.
What are the key properties of N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine?
N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine has a molecular weight of 326.44 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine is sourced from PubChem (CID 4649996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).