2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione

C20H18N2O2 — CID 168516972

IUPAC2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione
SMILESCC(C)(C)c1cc2cc(N3C(=O)c4ccccc4C3=O)ccc2[nH]1
InChIInChI=1S/C20H18N2O2/c1-20(2,3)17-11-12-10-13(8-9-16(12)21-17)22-18(23)14-6-4-5-7-15(14)19(22)24/h4-11,21H,1-3H3
InChIKeyBUZYVGVSXYVGBS-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.27
Rot. Bonds1

About 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione

2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione (PubChem CID 168516972) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione
PubChem CID168516972
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione
SMILESCC(C)(C)c1cc2cc(N3C(=O)c4ccccc4C3=O)ccc2[nH]1
InChIInChI=1S/C20H18N2O2/c1-20(2,3)17-11-12-10-13(8-9-16(12)21-17)22-18(23)14-6-4-5-7-15(14)19(22)24/h4-11,21H,1-3H3
InChIKeyBUZYVGVSXYVGBS-UHFFFAOYSA-N
XLogP4.27
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-3-hydroxyphenyl)isoindole-1,3-dione
CID 59395003
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
CID 168516683
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 682010
2-tert-butyl-5-(furan-2-yl)-1H-indole
CID 168525578
6,13-dinaphthalen-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132869360
4-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonic acid
CID 168511809
2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
CID 60921292
2-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylpropanoic acid
CID 58721880
2-(3-chloroisoquinolin-7-yl)isoindole-1,3-dione
CID 168518023
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
CID 135463212
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione (CID 168516972) is 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione is CC(C)(C)c1cc2cc(N3C(=O)c4ccccc4C3=O)ccc2[nH]1.
What is the InChIKey of 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione?
The InChIKey is BUZYVGVSXYVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-20(2,3)17-11-12-10-13(8-9-16(12)21-17)22-18(23)14-6-4-5-7-15(14)19(22)24/h4-11,21H,1-3H3.
What are the key properties of 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione?
2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione has a molecular weight of 318.38 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168516972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).