5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione

C14H24N2O2 — CID 5273852

IUPAC5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(CC2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-10(2)12-13(17)16(14(18)15-12)9-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyRNKLKTCVAPWAGI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.53
Rot. Bonds4

About 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione

5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione (PubChem CID 5273852) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione
PubChem CID5273852
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(CC2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-10(2)12-13(17)16(14(18)15-12)9-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyRNKLKTCVAPWAGI-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
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 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione (CID 5273852) is 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione is CCC(C)C1NC(=O)N(CC2CCCCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione?
The InChIKey is RNKLKTCVAPWAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-10(2)12-13(17)16(14(18)15-12)9-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione?
5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(cyclohexylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 5273852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).