1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C21H27N5O2 — CID 120879288

IUPAC1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CC(C(=O)N3CCNCC3c3nccn3C)CC2=O)c1C
InChIInChI=1S/C21H27N5O2/c1-14-5-4-6-17(15(14)2)26-13-16(11-19(26)27)21(28)25-10-7-22-12-18(25)20-23-8-9-24(20)3/h4-6,8-9,16,18,22H,7,10-13H2,1-3H3
InChIKeyUJGGPLGZTACHDH-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.56
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 120879288) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID120879288
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CC(C(=O)N3CCNCC3c3nccn3C)CC2=O)c1C
InChIInChI=1S/C21H27N5O2/c1-14-5-4-6-17(15(14)2)26-13-16(11-19(26)27)21(28)25-10-7-22-12-18(25)20-23-8-9-24(20)3/h4-6,8-9,16,18,22H,7,10-13H2,1-3H3
InChIKeyUJGGPLGZTACHDH-UHFFFAOYSA-N
XLogP1.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 120880661
4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 120877602
3-(2,3-dimethylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880399
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120878269
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120879777
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 120879288) is 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(N2CC(C(=O)N3CCNCC3c3nccn3C)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UJGGPLGZTACHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-5-4-6-17(15(14)2)26-13-16(11-19(26)27)21(28)25-10-7-22-12-18(25)20-23-8-9-24(20)3/h4-6,8-9,16,18,22H,7,10-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 120879288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).