3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C15H24N6O2 — CID 56802158

IUPAC3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCCn1ccnc1CN1CCN(CCN2C(=O)CNC2=O)CC1
InChIInChI=1S/C15H24N6O2/c1-2-20-4-3-16-13(20)12-19-7-5-18(6-8-19)9-10-21-14(22)11-17-15(21)23/h3-4H,2,5-12H2,1H3,(H,17,23)
InChIKeyQVPGYVHONQFEJR-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.43
Rot. Bonds6

About 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 56802158) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID56802158
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCCn1ccnc1CN1CCN(CCN2C(=O)CNC2=O)CC1
InChIInChI=1S/C15H24N6O2/c1-2-20-4-3-16-13(20)12-19-7-5-18(6-8-19)9-10-21-14(22)11-17-15(21)23/h3-4H,2,5-12H2,1H3,(H,17,23)
InChIKeyQVPGYVHONQFEJR-UHFFFAOYSA-N
XLogP-0.43
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one
CID 95283272
(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one
CID 95290308
(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95280328
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147792
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266168
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 56802158) is 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is CCn1ccnc1CN1CCN(CCN2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is QVPGYVHONQFEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-2-20-4-3-16-13(20)12-19-7-5-18(6-8-19)9-10-21-14(22)11-17-15(21)23/h3-4H,2,5-12H2,1H3,(H,17,23).
What are the key properties of 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 320.40 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56802158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).