1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione

C20H18ClN3O2 — CID 2806877

IUPAC1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
SMILESCC(C)c1nc2ccccc2n1C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H18ClN3O2/c1-12(2)19-22-15-5-3-4-6-16(15)24(19)17-11-18(25)23(20(17)26)14-9-7-13(21)8-10-14/h3-10,12,17H,11H2,1-2H3
InChIKeyGNOXZPIOOVCXCL-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.32
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 2806877) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
PubChem CID2806877
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
SMILESCC(C)c1nc2ccccc2n1C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H18ClN3O2/c1-12(2)19-22-15-5-3-4-6-16(15)24(19)17-11-18(25)23(20(17)26)14-9-7-13(21)8-10-14/h3-10,12,17H,11H2,1-2H3
InChIKeyGNOXZPIOOVCXCL-UHFFFAOYSA-N
XLogP4.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.32
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-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 134120909
3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 3130213
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1288349
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51577611
(3S)-1-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 766648
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]propanal
CID 139259717
1-(4-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2832597
3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 43841356
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1098219
(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 789736
1-(4-chlorophenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 5236758

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione (CID 2806877) is 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione is CC(C)c1nc2ccccc2n1C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is GNOXZPIOOVCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12(2)19-22-15-5-3-4-6-16(15)24(19)17-11-18(25)23(20(17)26)14-9-7-13(21)8-10-14/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 367.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2806877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).