1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione

C7H6N4O3 — CID 64531340

IUPAC1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ncc[nH]2)C1=O
InChIInChI=1S/C7H6N4O3/c12-5-6(13)11(7(14)10-5)3-4-8-1-2-9-4/h1-2H,3H2,(H,8,9)(H,10,12,14)
InChIKeyARZIZJRLHQBXLV-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.01
Rot. Bonds2

About 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione

1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 64531340) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID64531340
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ncc[nH]2)C1=O
InChIInChI=1S/C7H6N4O3/c12-5-6(13)11(7(14)10-5)3-4-8-1-2-9-4/h1-2H,3H2,(H,8,9)(H,10,12,14)
InChIKeyARZIZJRLHQBXLV-UHFFFAOYSA-N
XLogP-1.01
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64531542
4-(1H-imidazol-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 107409789
6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 64531733
10-(1H-imidazol-2-ylmethyl)phenothiazine
CID 24841511
11-(1H-imidazol-2-ylmethyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 70410822
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione
CID 103430846
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312
3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one
CID 141363746
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione (CID 64531340) is 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(Cc2ncc[nH]2)C1=O.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is ARZIZJRLHQBXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-5-6(13)11(7(14)10-5)3-4-8-1-2-9-4/h1-2H,3H2,(H,8,9)(H,10,12,14).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione?
1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 194.15 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 64531340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).