benzene;3-tert-butylimidazolidine-2,4-dione

C13H18N2O2 — CID 70509532

IUPACbenzene;3-tert-butylimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)CNC1=O.c1ccccc1
InChIInChI=1S/C7H12N2O2.C6H6/c1-7(2,3)9-5(10)4-8-6(9)11;1-2-4-6-5-3-1/h4H2,1-3H3,(H,8,11);1-6H
InChIKeyKYEHSWNFOLQSIL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.02
Rot. Bonds

About benzene;3-tert-butylimidazolidine-2,4-dione

benzene;3-tert-butylimidazolidine-2,4-dione (PubChem CID 70509532) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is benzene;3-tert-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Namebenzene;3-tert-butylimidazolidine-2,4-dione
PubChem CID70509532
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namebenzene;3-tert-butylimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)CNC1=O.c1ccccc1
InChIInChI=1S/C7H12N2O2.C6H6/c1-7(2,3)9-5(10)4-8-6(9)11;1-2-4-6-5-3-1/h4H2,1-3H3,(H,8,11);1-6H
InChIKeyKYEHSWNFOLQSIL-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.02
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 benzene;3-tert-butylimidazolidine-2,4-dione?
The IUPAC name of benzene;3-tert-butylimidazolidine-2,4-dione (CID 70509532) is benzene;3-tert-butylimidazolidine-2,4-dione.
What is the SMILES notation for benzene;3-tert-butylimidazolidine-2,4-dione?
The canonical SMILES for benzene;3-tert-butylimidazolidine-2,4-dione is CC(C)(C)N1C(=O)CNC1=O.c1ccccc1.
What is the InChIKey of benzene;3-tert-butylimidazolidine-2,4-dione?
The InChIKey is KYEHSWNFOLQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C6H6/c1-7(2,3)9-5(10)4-8-6(9)11;1-2-4-6-5-3-1/h4H2,1-3H3,(H,8,11);1-6H.
What are the key properties of benzene;3-tert-butylimidazolidine-2,4-dione?
benzene;3-tert-butylimidazolidine-2,4-dione has a molecular weight of 234.30 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-tert-butylimidazolidine-2,4-dione is sourced from PubChem (CID 70509532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).