methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate

C23H18N2O3 — CID 135423021

IUPACmethyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
SMILESCOC(=O)c1ccccc1/N=C(\c1ccccc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C23H18N2O3/c1-28-23(27)17-12-6-8-14-19(17)24-21(15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)25-22(20)26/h2-14,25-26H,1H3/b24-21+
InChIKeyIZEUOAMYLOAUGD-DARPEHSRSA-N
MW370.41 g/mol
LogP4.83
Rot. Bonds4

About methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate

methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate (PubChem CID 135423021) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
PubChem CID135423021
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Namemethyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
SMILESCOC(=O)c1ccccc1/N=C(\c1ccccc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C23H18N2O3/c1-28-23(27)17-12-6-8-14-19(17)24-21(15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)25-22(20)26/h2-14,25-26H,1H3/b24-21+
InChIKeyIZEUOAMYLOAUGD-DARPEHSRSA-N
XLogP4.83
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate?
The IUPAC name of methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate (CID 135423021) is methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate?
The canonical SMILES for methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate is COC(=O)c1ccccc1/N=C(\c1ccccc1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate?
The InChIKey is IZEUOAMYLOAUGD-DARPEHSRSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-23(27)17-12-6-8-14-19(17)24-21(15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)25-22(20)26/h2-14,25-26H,1H3/b24-21+.
What are the key properties of methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate?
methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate is sourced from PubChem (CID 135423021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).