bis(1-benzylimidazolidine-2,4-dione);hexanamide

C26H33N5O5 — CID 161337897

IUPACbis(1-benzylimidazolidine-2,4-dione);hexanamide
SMILESCCCCCC(N)=O.O=C1CN(Cc2ccccc2)C(=O)N1.O=C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/2C10H10N2O2.C6H13NO/c2*13-9-7-12(10(14)11-9)6-8-4-2-1-3-5-8;1-2-3-4-5-6(7)8/h2*1-5H,6-7H2,(H,11,13,14);2-5H2,1H3,(H2,7,8)
InChIKeyVMGWLIWYWNJAIY-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.53
Rot. Bonds8

About bis(1-benzylimidazolidine-2,4-dione);hexanamide

bis(1-benzylimidazolidine-2,4-dione);hexanamide (PubChem CID 161337897) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is bis(1-benzylimidazolidine-2,4-dione);hexanamide.

Molecular Properties

Compound Namebis(1-benzylimidazolidine-2,4-dione);hexanamide
PubChem CID161337897
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Namebis(1-benzylimidazolidine-2,4-dione);hexanamide
SMILESCCCCCC(N)=O.O=C1CN(Cc2ccccc2)C(=O)N1.O=C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/2C10H10N2O2.C6H13NO/c2*13-9-7-12(10(14)11-9)6-8-4-2-1-3-5-8;1-2-3-4-5-6(7)8/h2*1-5H,6-7H2,(H,11,13,14);2-5H2,1H3,(H2,7,8)
InChIKeyVMGWLIWYWNJAIY-UHFFFAOYSA-N
XLogP2.53
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-benzylimidazolidine-2,4-dione);hexanamide?
The IUPAC name of bis(1-benzylimidazolidine-2,4-dione);hexanamide (CID 161337897) is bis(1-benzylimidazolidine-2,4-dione);hexanamide.
What is the SMILES notation for bis(1-benzylimidazolidine-2,4-dione);hexanamide?
The canonical SMILES for bis(1-benzylimidazolidine-2,4-dione);hexanamide is CCCCCC(N)=O.O=C1CN(Cc2ccccc2)C(=O)N1.O=C1CN(Cc2ccccc2)C(=O)N1.
What is the InChIKey of bis(1-benzylimidazolidine-2,4-dione);hexanamide?
The InChIKey is VMGWLIWYWNJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2O2.C6H13NO/c2*13-9-7-12(10(14)11-9)6-8-4-2-1-3-5-8;1-2-3-4-5-6(7)8/h2*1-5H,6-7H2,(H,11,13,14);2-5H2,1H3,(H2,7,8).
What are the key properties of bis(1-benzylimidazolidine-2,4-dione);hexanamide?
bis(1-benzylimidazolidine-2,4-dione);hexanamide has a molecular weight of 495.58 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzylimidazolidine-2,4-dione);hexanamide is sourced from PubChem (CID 161337897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).