5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one

C14H17N3O2 — CID 79967975

IUPAC5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(OC)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-4-7-17-12(13(15)16-14(17)18)10-5-6-11(19-3)9(2)8-10/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18)
InChIKeyFCWVXRDMZZNORJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds4

About 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79967975) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79967975
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(OC)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-4-7-17-12(13(15)16-14(17)18)10-5-6-11(19-3)9(2)8-10/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18)
InChIKeyFCWVXRDMZZNORJ-UHFFFAOYSA-N
XLogP2.02
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 79967975) is 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1ccc(OC)c(C)c1.
What is the InChIKey of 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is FCWVXRDMZZNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-7-17-12(13(15)16-14(17)18)10-5-6-11(19-3)9(2)8-10/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79967975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).