methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate

C23H18N2O3 — CID 23826464

IUPACmethyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
SMILESCOC(=O)c1ccc(/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-28-23(27)17-11-13-18(14-12-17)24-21-19-9-5-6-10-20(19)25(22(21)26)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b24-21-
InChIKeyBZXMRBNLFYXXCP-FLFQWRMESA-N
MW370.41 g/mol
LogP4.14
Rot. Bonds4

About methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate

methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate (PubChem CID 23826464) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
PubChem CID23826464
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Namemethyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
SMILESCOC(=O)c1ccc(/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-28-23(27)17-11-13-18(14-12-17)24-21-19-9-5-6-10-20(19)25(22(21)26)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b24-21-
InChIKeyBZXMRBNLFYXXCP-FLFQWRMESA-N
XLogP4.14
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(4-bromophenyl)iminoindol-2-one
CID 24799240
methyl 4-[(2-oxo-1-propan-2-ylindol-3-ylidene)amino]benzoate
CID 23880170
4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide
CID 23938505
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23820110
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064
4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 98582790
methyl 4-[[(5E)-3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 21231926
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
methyl 3-[[3-(2-methyl-1-phenylpropylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602563
methyl 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]benzoate
CID 155669339
methyl 3-[[3-[1-(4-chlorophenyl)-2-methylpropylidene]-2-oxoindol-1-yl]methyl]benzoate
CID 67036257

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate?
The IUPAC name of methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate (CID 23826464) is methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate?
The canonical SMILES for methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate is COC(=O)c1ccc(/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate?
The InChIKey is BZXMRBNLFYXXCP-FLFQWRMESA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-23(27)17-11-13-18(14-12-17)24-21-19-9-5-6-10-20(19)25(22(21)26)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b24-21-.
What are the key properties of methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate?
methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate is sourced from PubChem (CID 23826464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).