1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione

C17H32N2O2 — CID 59602715

IUPAC1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione
SMILESCC(C)(C)CCCN1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-16(2,3)9-7-11-18-13-14(20)19(15(18)21)12-8-10-17(4,5)6/h7-13H2,1-6H3
InChIKeySITXQDGXMDBHKJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.90
Rot. Bonds6

About 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione

1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione (PubChem CID 59602715) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione
PubChem CID59602715
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione
SMILESCC(C)(C)CCCN1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-16(2,3)9-7-11-18-13-14(20)19(15(18)21)12-8-10-17(4,5)6/h7-13H2,1-6H3
InChIKeySITXQDGXMDBHKJ-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.90
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-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione (CID 59602715) is 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione is CC(C)(C)CCCN1CC(=O)N(CCCC(C)(C)C)C1=O.
What is the InChIKey of 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione?
The InChIKey is SITXQDGXMDBHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)9-7-11-18-13-14(20)19(15(18)21)12-8-10-17(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione?
1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione has a molecular weight of 296.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4,4-dimethylpentyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59602715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).