5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C15H22N6O3 — CID 120877268

IUPAC5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCn1ccnc1C1CNCCN1C(=O)CN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C15H22N6O3/c1-15(2)13(23)18-14(24)21(15)9-11(22)20-7-4-16-8-10(20)12-17-5-6-19(12)3/h5-6,10,16H,4,7-9H2,1-3H3,(H,18,23,24)
InChIKeySNNMWFSBPJUIGI-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.78
Rot. Bonds3

About 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 120877268) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID120877268
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCn1ccnc1C1CNCCN1C(=O)CN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C15H22N6O3/c1-15(2)13(23)18-14(24)21(15)9-11(22)20-7-4-16-8-10(20)12-17-5-6-19(12)3/h5-6,10,16H,4,7-9H2,1-3H3,(H,18,23,24)
InChIKeySNNMWFSBPJUIGI-UHFFFAOYSA-N
XLogP-0.78
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 120877420
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877844
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 120879613
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120732791
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 120877268) is 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cn1ccnc1C1CNCCN1C(=O)CN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is SNNMWFSBPJUIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-15(2)13(23)18-14(24)21(15)9-11(22)20-7-4-16-8-10(20)12-17-5-6-19(12)3/h5-6,10,16H,4,7-9H2,1-3H3,(H,18,23,24).
What are the key properties of 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 120877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).