2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate

C24H18N3O3- — CID 3689306

IUPAC2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
SMILESCc1ccc2[nH]c(C(=O)NN=Cc3ccccc3C(=O)[O-])c(-c3ccccc3)c2c1
InChIInChI=1S/C24H19N3O3/c1-15-11-12-20-19(13-15)21(16-7-3-2-4-8-16)22(26-20)23(28)27-25-14-17-9-5-6-10-18(17)24(29)30/h2-14,26H,1H3,(H,27,28)(H,29,30)/p-1
InChIKeyZUBGALRJJRWZIM-UHFFFAOYSA-M
MW396.43 g/mol
LogP3.27
Rot. Bonds5

About 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate

2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate (PubChem CID 3689306) has the molecular formula C24H18N3O3- and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
PubChem CID3689306
Molecular FormulaC24H18N3O3-
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
SMILESCc1ccc2[nH]c(C(=O)NN=Cc3ccccc3C(=O)[O-])c(-c3ccccc3)c2c1
InChIInChI=1S/C24H19N3O3/c1-15-11-12-20-19(13-15)21(16-7-3-2-4-8-16)22(26-20)23(28)27-25-14-17-9-5-6-10-18(17)24(29)30/h2-14,26H,1H3,(H,27,28)(H,29,30)/p-1
InChIKeyZUBGALRJJRWZIM-UHFFFAOYSA-M
XLogP3.27
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
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

[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126401641
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126400367
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402435
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 5-chloro-2-methoxybenzoate
CID 126402064
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126402812
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897272
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897273
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
[2-[[(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 5-chloro-2-methoxybenzoate
CID 126401329
[4-bromo-2-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126400359
[4-bromo-2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-acetyloxy-3-methoxybenzoate
CID 126399246
[2-ethoxy-4-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4-diethoxybenzoate
CID 126401035

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate (CID 3689306) is 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate is Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3C(=O)[O-])c(-c3ccccc3)c2c1.
What is the InChIKey of 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate?
The InChIKey is ZUBGALRJJRWZIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19N3O3/c1-15-11-12-20-19(13-15)21(16-7-3-2-4-8-16)22(26-20)23(28)27-25-14-17-9-5-6-10-18(17)24(29)30/h2-14,26H,1H3,(H,27,28)(H,29,30)/p-1.
What are the key properties of 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate?
2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate has a molecular weight of 396.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 3689306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).