2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione

C18H15N3O2 — CID 168516683

IUPAC2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
SMILESCC(C)c1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2[nH]1
InChIInChI=1S/C18H15N3O2/c1-10(2)16-19-14-8-7-11(9-15(14)20-16)21-17(22)12-5-3-4-6-13(12)18(21)23/h3-10H,1-2H3,(H,19,20)
InChIKeyGAHULRYURFNBRL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.49
Rot. Bonds2

About 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione

2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione (PubChem CID 168516683) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
PubChem CID168516683
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
SMILESCC(C)c1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2[nH]1
InChIInChI=1S/C18H15N3O2/c1-10(2)16-19-14-8-7-11(9-15(14)20-16)21-17(22)12-5-3-4-6-13(12)18(21)23/h3-10H,1-2H3,(H,19,20)
InChIKeyGAHULRYURFNBRL-UHFFFAOYSA-N
XLogP3.49
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110204352
2-propan-2-yl-1H-benzimidazole
CID 22121
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
2-[3-(6-bromo-1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione
CID 168518731
CID 162266881
CID 162266881
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione
CID 168516972
[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 66555065
6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
CID 142431788
(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 95205037

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione (CID 168516683) is 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione is CC(C)c1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2[nH]1.
What is the InChIKey of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione?
The InChIKey is GAHULRYURFNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-10(2)16-19-14-8-7-11(9-15(14)20-16)21-17(22)12-5-3-4-6-13(12)18(21)23/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione?
2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione has a molecular weight of 305.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168516683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).