5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C14H19N3O — CID 79497862

IUPAC5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1ccc(OC)c(C)c1
InChIInChI=1S/C14H19N3O/c1-4-7-17-12(9-16-14(17)15)11-5-6-13(18-3)10(2)8-11/h4-6,8,12H,1,7,9H2,2-3H3,(H2,15,16)
InChIKeyFFGFXWJJSDROCN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.86
Rot. Bonds4

About 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79497862) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79497862
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1ccc(OC)c(C)c1
InChIInChI=1S/C14H19N3O/c1-4-7-17-12(9-16-14(17)15)11-5-6-13(18-3)10(2)8-11/h4-6,8,12H,1,7,9H2,2-3H3,(H2,15,16)
InChIKeyFFGFXWJJSDROCN-UHFFFAOYSA-N
XLogP1.86
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79497862) is 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1ccc(OC)c(C)c1.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is FFGFXWJJSDROCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-7-17-12(9-16-14(17)15)11-5-6-13(18-3)10(2)8-11/h4-6,8,12H,1,7,9H2,2-3H3,(H2,15,16).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).