3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

C11H16N4O2 — CID 166202423

IUPAC3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(Cc2nccn2C)C1=O
InChIInChI=1S/C11H16N4O2/c1-7(2)9-10(16)15(11(17)13-9)6-8-12-4-5-14(8)3/h4-5,7,9H,6H2,1-3H3,(H,13,17)
InChIKeyJCUBHMSSLKNXNJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.50
Rot. Bonds3

About 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 166202423) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID166202423
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(Cc2nccn2C)C1=O
InChIInChI=1S/C11H16N4O2/c1-7(2)9-10(16)15(11(17)13-9)6-8-12-4-5-14(8)3/h4-5,7,9H,6H2,1-3H3,(H,13,17)
InChIKeyJCUBHMSSLKNXNJ-UHFFFAOYSA-N
XLogP0.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.50
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-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
1-[(1-methylimidazol-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598004
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 63296054
7-[(1-methylimidazol-2-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600629
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 18097287
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64971031
(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 51981221
3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 114532459
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 166202423) is 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1NC(=O)N(Cc2nccn2C)C1=O.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is JCUBHMSSLKNXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(2)9-10(16)15(11(17)13-9)6-8-12-4-5-14(8)3/h4-5,7,9H,6H2,1-3H3,(H,13,17).
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 166202423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).