1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione

C20H19N3O2 — CID 134120909

IUPAC1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
SMILESCC(C)c1nc2ccccc2n1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H19N3O2/c1-13(2)19-21-15-10-6-7-11-16(15)23(19)17-12-18(24)22(20(17)25)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3
InChIKeySYUZRQCJCWBSDU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.66
Rot. Bonds3

About 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione

1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 134120909) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
PubChem CID134120909
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
SMILESCC(C)c1nc2ccccc2n1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H19N3O2/c1-13(2)19-21-15-10-6-7-11-16(15)23(19)17-12-18(24)22(20(17)25)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3
InChIKeySYUZRQCJCWBSDU-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 2806877
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1288349
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51577611
(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 789736
(3S)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 789733
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 43841356
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 3130213
(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 2059029
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione (CID 134120909) is 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione is CC(C)c1nc2ccccc2n1C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is SYUZRQCJCWBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(2)19-21-15-10-6-7-11-16(15)23(19)17-12-18(24)22(20(17)25)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134120909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).