2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione

C24H14N4O4 — CID 1098364

IUPAC2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H14N4O4/c29-21-17-5-1-2-6-18(17)22(30)27(21)25-13-15-9-11-16(12-10-15)14-26-28-23(31)19-7-3-4-8-20(19)24(28)32/h1-14H
InChIKeyVFLPACFXJWHMTP-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.95
Rot. Bonds4

About 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione

2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione (PubChem CID 1098364) has the molecular formula C24H14N4O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
PubChem CID1098364
Molecular FormulaC24H14N4O4
Molecular Weight422.40 g/mol
Exact Mass422.10
IUPAC Name2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H14N4O4/c29-21-17-5-1-2-6-18(17)22(30)27(21)25-13-15-9-11-16(12-10-15)14-26-28-23(31)19-7-3-4-8-20(19)24(28)32/h1-14H
InChIKeyVFLPACFXJWHMTP-UHFFFAOYSA-N
XLogP2.95
TPSA99.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
CID 5337750
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
CID 901062
2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
CID 2305885
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
CID 5392488

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione (CID 1098364) is 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N=Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione?
The InChIKey is VFLPACFXJWHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O4/c29-21-17-5-1-2-6-18(17)22(30)27(21)25-13-15-9-11-16(12-10-15)14-26-28-23(31)19-7-3-4-8-20(19)24(28)32/h1-14H.
What are the key properties of 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione?
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione has a molecular weight of 422.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 1098364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).