5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one

C14H17N3O — CID 79967427

IUPAC5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1cc(C)ccc1C
InChIInChI=1S/C14H17N3O/c1-4-7-17-12(13(15)16-14(17)18)11-8-9(2)5-6-10(11)3/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18)
InChIKeyPUQKRQRAGMVOFX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.32
Rot. Bonds3

About 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79967427) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79967427
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1cc(C)ccc1C
InChIInChI=1S/C14H17N3O/c1-4-7-17-12(13(15)16-14(17)18)11-8-9(2)5-6-10(11)3/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18)
InChIKeyPUQKRQRAGMVOFX-UHFFFAOYSA-N
XLogP2.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 79967427) is 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1cc(C)ccc1C.
What is the InChIKey of 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is PUQKRQRAGMVOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-7-17-12(13(15)16-14(17)18)11-8-9(2)5-6-10(11)3/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79967427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).