1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine

C23H24N2S — CID 20702020

IUPAC1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2c(C)cccc2C)s1
InChIInChI=1S/C23H24N2S/c1-15-9-6-7-12-20(15)24-18(4)21-13-14-22(26-21)19(5)25-23-16(2)10-8-11-17(23)3/h6-14H,1-5H3/b24-18+,25-19+
InChIKeyYQWAWDBXDHJPTE-SIHVKLMXSA-N
MW360.53 g/mol
LogP6.95
Rot. Bonds4

About 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine

1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine (PubChem CID 20702020) has the molecular formula C23H24N2S and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine
PubChem CID20702020
Molecular FormulaC23H24N2S
Molecular Weight360.53 g/mol
Exact Mass360.17
IUPAC Name1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2c(C)cccc2C)s1
InChIInChI=1S/C23H24N2S/c1-15-9-6-7-12-20(15)24-18(4)21-13-14-22(26-21)19(5)25-23-16(2)10-8-11-17(23)3/h6-14H,1-5H3/b24-18+,25-19+
InChIKeyYQWAWDBXDHJPTE-SIHVKLMXSA-N
XLogP6.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)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

1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
CID 20701787
dichloroiron;1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968224
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
dichloroiron;N-[dimethylamino-[(E)-1-[5-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]ethylideneamino]phosphanyl]-N-methylmethanamine
CID 20702143
4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]benzenesulfinic acid
CID 166990725
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine
CID 90442442
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichlorochromium
CID 72644654
dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine
CID 58765924

Frequently Asked Questions

What is the IUPAC name of 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine?
The IUPAC name of 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine (CID 20702020) is 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine.
What is the SMILES notation for 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine?
The canonical SMILES for 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine is C/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2c(C)cccc2C)s1.
What is the InChIKey of 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine?
The InChIKey is YQWAWDBXDHJPTE-SIHVKLMXSA-N. The full InChI is InChI=1S/C23H24N2S/c1-15-9-6-7-12-20(15)24-18(4)21-13-14-22(26-21)19(5)25-23-16(2)10-8-11-17(23)3/h6-14H,1-5H3/b24-18+,25-19+.
What are the key properties of 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine?
1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine has a molecular weight of 360.53 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine is sourced from PubChem (CID 20702020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).