1,3-dibutyl-5-methylimidazolidine-2,4-dione

C12H22N2O2 — CID 12767202

IUPAC1,3-dibutyl-5-methylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(C)N(CCCC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-6-8-13-10(3)11(15)14(12(13)16)9-7-5-2/h10H,4-9H2,1-3H3
InChIKeySFGOMXOQOKTXFE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.24
Rot. Bonds6

About 1,3-dibutyl-5-methylimidazolidine-2,4-dione

1,3-dibutyl-5-methylimidazolidine-2,4-dione (PubChem CID 12767202) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,3-dibutyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibutyl-5-methylimidazolidine-2,4-dione
PubChem CID12767202
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,3-dibutyl-5-methylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(C)N(CCCC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-6-8-13-10(3)11(15)14(12(13)16)9-7-5-2/h10H,4-9H2,1-3H3
InChIKeySFGOMXOQOKTXFE-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dibutyl-5-methylimidazolidine-2,4-dione (CID 12767202) is 1,3-dibutyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dibutyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dibutyl-5-methylimidazolidine-2,4-dione is CCCCN1C(=O)C(C)N(CCCC)C1=O.
What is the InChIKey of 1,3-dibutyl-5-methylimidazolidine-2,4-dione?
The InChIKey is SFGOMXOQOKTXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-8-13-10(3)11(15)14(12(13)16)9-7-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1,3-dibutyl-5-methylimidazolidine-2,4-dione?
1,3-dibutyl-5-methylimidazolidine-2,4-dione has a molecular weight of 226.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 12767202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).