3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate

C22H16N3O2- — CID 135556740

IUPAC3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C22H17N3O2/c26-22(27)16-9-6-10-17(13-16)25-23-14-19-18-11-4-5-12-20(18)24-21(19)15-7-2-1-3-8-15/h1-14,24-25H,(H,26,27)/p-1/b23-14+
InChIKeyKJFMCYYRWINPKY-OEAKJJBVSA-M
MW354.39 g/mol
LogP3.64
Rot. Bonds5

About 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate

3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate (PubChem CID 135556740) has the molecular formula C22H16N3O2- and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
PubChem CID135556740
Molecular FormulaC22H16N3O2-
Molecular Weight354.39 g/mol
Exact Mass354.12
IUPAC Name3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C22H17N3O2/c26-22(27)16-9-6-10-17(13-16)25-23-14-19-18-11-4-5-12-20(18)24-21(19)15-7-2-1-3-8-15/h1-14,24-25H,(H,26,27)/p-1/b23-14+
InChIKeyKJFMCYYRWINPKY-OEAKJJBVSA-M
XLogP3.64
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.64
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'}

Analyze 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate 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

3-nitro-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135590888
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 136852078
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 155807222
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
2-chloro-5-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]benzoate
CID 135795392
2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
CID 137226357
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135776758

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate (CID 135556740) is 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate is O=C([O-])c1cccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate?
The InChIKey is KJFMCYYRWINPKY-OEAKJJBVSA-M. The full InChI is InChI=1S/C22H17N3O2/c26-22(27)16-9-6-10-17(13-16)25-23-14-19-18-11-4-5-12-20(18)24-21(19)15-7-2-1-3-8-15/h1-14,24-25H,(H,26,27)/p-1/b23-14+.
What are the key properties of 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate?
3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate has a molecular weight of 354.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 135556740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).