3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione

C23H18N4O2 — CID 43841372

IUPAC3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCn3c2nc2ccccc23)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C23H18N4O2/c28-21-14-20(26-13-12-25-19-10-4-3-9-17(19)24-23(25)26)22(29)27(21)18-11-5-7-15-6-1-2-8-16(15)18/h1-11,20H,12-14H2
InChIKeyLKRSMDYBAOXYCU-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.34
Rot. Bonds2

About 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione

3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione (PubChem CID 43841372) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione
PubChem CID43841372
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCn3c2nc2ccccc23)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C23H18N4O2/c28-21-14-20(26-13-12-25-19-10-4-3-9-17(19)24-23(25)26)22(29)27(21)18-11-5-7-15-6-1-2-8-16(15)18/h1-11,20H,12-14H2
InChIKeyLKRSMDYBAOXYCU-UHFFFAOYSA-N
XLogP3.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.34
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

3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 43841356
2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61371935
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
(3S)-3-(4,7-dimethylquinazolin-2-yl)sulfanyl-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 1160949
3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 139710361
cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7439607
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139
2-naphthalen-1-yl-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24734210
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanamine
CID 96619297
6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione
CID 81072141

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione (CID 43841372) is 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCn3c2nc2ccccc23)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The InChIKey is LKRSMDYBAOXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-21-14-20(26-13-12-25-19-10-4-3-9-17(19)24-23(25)26)22(29)27(21)18-11-5-7-15-6-1-2-8-16(15)18/h1-11,20H,12-14H2.
What are the key properties of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione?
3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione has a molecular weight of 382.42 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43841372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).