2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione

C15H10N4O2 — CID 168516586

IUPAC2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione
SMILESCn1nc2cccc(N3C(=O)c4ccccc4C3=O)c2n1
InChIInChI=1S/C15H10N4O2/c1-18-16-11-7-4-8-12(13(11)17-18)19-14(20)9-5-2-3-6-10(9)15(19)21/h2-8H,1H3
InChIKeyURFKMQNYSFLZAR-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.77
Rot. Bonds1

About 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione

2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione (PubChem CID 168516586) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione
PubChem CID168516586
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione
SMILESCn1nc2cccc(N3C(=O)c4ccccc4C3=O)c2n1
InChIInChI=1S/C15H10N4O2/c1-18-16-11-7-4-8-12(13(11)17-18)19-14(20)9-5-2-3-6-10(9)15(19)21/h2-8H,1H3
InChIKeyURFKMQNYSFLZAR-UHFFFAOYSA-N
XLogP1.77
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
2-(2,3-diethylphenyl)isoindole-1,3-dione
CID 67993045
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
2-(2-aminophenyl)isoindole-1,3-dione;hydrate
CID 45045681
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
ethane;2-[2-(1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione
CID 136653630
2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
CID 13202311
4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
CID 169336941
2-(2-ethylsulfanylphenyl)isoindole-1,3-dione
CID 168517377
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
CID 168518946
2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione (CID 168516586) is 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione is Cn1nc2cccc(N3C(=O)c4ccccc4C3=O)c2n1.
What is the InChIKey of 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione?
The InChIKey is URFKMQNYSFLZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-18-16-11-7-4-8-12(13(11)17-18)19-14(20)9-5-2-3-6-10(9)15(19)21/h2-8H,1H3.
What are the key properties of 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione?
2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione has a molecular weight of 278.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzotriazol-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 168516586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).