1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione

C8H11N5O2 — CID 175783309

IUPAC1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione
SMILESCn1ccnc1C1C(=O)NC(=O)N1CN
InChIInChI=1S/C8H11N5O2/c1-12-3-2-10-6(12)5-7(14)11-8(15)13(5)4-9/h2-3,5H,4,9H2,1H3,(H,11,14,15)
InChIKeyJPGQTYIQSBWRPR-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.07
Rot. Bonds2

About 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione

1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione (PubChem CID 175783309) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione
PubChem CID175783309
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione
SMILESCn1ccnc1C1C(=O)NC(=O)N1CN
InChIInChI=1S/C8H11N5O2/c1-12-3-2-10-6(12)5-7(14)11-8(15)13(5)4-9/h2-3,5H,4,9H2,1H3,(H,11,14,15)
InChIKeyJPGQTYIQSBWRPR-UHFFFAOYSA-N
XLogP-1.07
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
CID 132558437
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
CID 130641897
[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine
CID 130002884
[1-(1-methylimidazol-2-yl)cyclopropyl]methanamine
CID 82026897
2-cyclopentyl-1-methylimidazole
CID 83382106
(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one
CID 90179129
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
3-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-1,3-thiazinan-4-one
CID 3716074
ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377625
2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one
CID 74227444
2-[4-(bromomethyl)pyrrolidin-3-yl]-1-methylimidazole
CID 130972067

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione (CID 175783309) is 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione is Cn1ccnc1C1C(=O)NC(=O)N1CN.
What is the InChIKey of 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is JPGQTYIQSBWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-12-3-2-10-6(12)5-7(14)11-8(15)13(5)4-9/h2-3,5H,4,9H2,1H3,(H,11,14,15).
What are the key properties of 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?
1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 209.21 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 175783309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).