2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one

C15H17N3O — CID 143244461

IUPAC2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one
SMILESC/C=C\C=C(/C)C1(c2ccccc2)N=C(N)NC1=O
InChIInChI=1S/C15H17N3O/c1-3-4-8-11(2)15(12-9-6-5-7-10-12)13(19)17-14(16)18-15/h3-10H,1-2H3,(H3,16,17,18,19)/b4-3-,11-8+
InChIKeyXIIQABZTUIZONG-PRTWDDKSSA-N
MW255.32 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one

2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one (PubChem CID 143244461) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one
PubChem CID143244461
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one
SMILESC/C=C\C=C(/C)C1(c2ccccc2)N=C(N)NC1=O
InChIInChI=1S/C15H17N3O/c1-3-4-8-11(2)15(12-9-6-5-7-10-12)13(19)17-14(16)18-15/h3-10H,1-2H3,(H3,16,17,18,19)/b4-3-,11-8+
InChIKeyXIIQABZTUIZONG-PRTWDDKSSA-N
XLogP1.85
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one (CID 143244461) is 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one is C/C=C\C=C(/C)C1(c2ccccc2)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one?
The InChIKey is XIIQABZTUIZONG-PRTWDDKSSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-4-8-11(2)15(12-9-6-5-7-10-12)13(19)17-14(16)18-15/h3-10H,1-2H3,(H3,16,17,18,19)/b4-3-,11-8+.
What are the key properties of 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one?
2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one has a molecular weight of 255.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 143244461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).