1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine

C15H19N3O — CID 106564103

IUPAC1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1-c1ccc(OC)c(C)c1
InChIInChI=1S/C15H19N3O/c1-5-8-16-15-17-12(3)10-18(15)13-6-7-14(19-4)11(2)9-13/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)
InChIKeyUZFOSAQQNOAGNB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine

1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106564103) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106564103
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1-c1ccc(OC)c(C)c1
InChIInChI=1S/C15H19N3O/c1-5-8-16-15-17-12(3)10-18(15)13-6-7-14(19-4)11(2)9-13/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)
InChIKeyUZFOSAQQNOAGNB-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.10
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 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106564103) is 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1-c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is UZFOSAQQNOAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-8-16-15-17-12(3)10-18(15)13-6-7-14(19-4)11(2)9-13/h5-7,9-10H,1,8H2,2-4H3,(H,16,17).
What are the key properties of 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106564103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).