3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide

C25H23N3O — CID 126274795

IUPAC3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESCc1ccc(Cn2cc(/C=N\NC(=O)c3cccc(C)c3)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O/c1-18-10-12-20(13-11-18)16-28-17-22(23-8-3-4-9-24(23)28)15-26-27-25(29)21-7-5-6-19(2)14-21/h3-15,17H,16H2,1-2H3,(H,27,29)/b26-15-
InChIKeyWVANJAYCTXSHSU-YSMPRRRNSA-N
MW381.48 g/mol
LogP5.07
Rot. Bonds5

About 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide

3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide (PubChem CID 126274795) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
PubChem CID126274795
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESCc1ccc(Cn2cc(/C=N\NC(=O)c3cccc(C)c3)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O/c1-18-10-12-20(13-11-18)16-28-17-22(23-8-3-4-9-24(23)28)15-26-27-25(29)21-7-5-6-19(2)14-21/h3-15,17H,16H2,1-2H3,(H,27,29)/b26-15-
InChIKeyWVANJAYCTXSHSU-YSMPRRRNSA-N
XLogP5.07
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 126004518
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126008005
3,5-dibromo-4-methoxy-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 3734601
2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
CID 126059458
4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3965951
[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 21214503
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863813
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
3,4-dichloro-N-[3-methyl-1-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4266198
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide (CID 126274795) is 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide is Cc1ccc(Cn2cc(/C=N\NC(=O)c3cccc(C)c3)c3ccccc32)cc1.
What is the InChIKey of 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The InChIKey is WVANJAYCTXSHSU-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-10-12-20(13-11-18)16-28-17-22(23-8-3-4-9-24(23)28)15-26-27-25(29)21-7-5-6-19(2)14-21/h3-15,17H,16H2,1-2H3,(H,27,29)/b26-15-.
What are the key properties of 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 126274795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).