1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione

C9H12N4O2 — CID 114531954

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCn1ccnc1CCN1CC(=O)NC1=O
InChIInChI=1S/C9H12N4O2/c1-12-5-3-10-7(12)2-4-13-6-8(14)11-9(13)15/h3,5H,2,4,6H2,1H3,(H,11,14,15)
InChIKeyXCGZWPJTZPFYSY-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.49
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione

1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 114531954) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID114531954
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCn1ccnc1CCN1CC(=O)NC1=O
InChIInChI=1S/C9H12N4O2/c1-12-5-3-10-7(12)2-4-13-6-8(14)11-9(13)15/h3,5H,2,4,6H2,1H3,(H,11,14,15)
InChIKeyXCGZWPJTZPFYSY-UHFFFAOYSA-N
XLogP-0.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
1-[(1-methylimidazol-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598004
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532499
6-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114532500
3,3,7-trimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 114532522
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
azane;1-methyl-2-propylimidazole
CID 174525892
1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 114531269
methanamine;1-methyl-2-propylimidazole
CID 164902083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione (CID 114531954) is 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione is Cn1ccnc1CCN1CC(=O)NC1=O.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is XCGZWPJTZPFYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-12-5-3-10-7(12)2-4-13-6-8(14)11-9(13)15/h3,5H,2,4,6H2,1H3,(H,11,14,15).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione?
1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 114531954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).