5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine

C15H21N3O — CID 79497656

IUPAC5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-10-18-14(16)17-11-15(18,5-2)12-6-8-13(19-3)9-7-12/h4,6-9H,1,5,10-11H2,2-3H3,(H2,16,17)
InChIKeyBVURPPZULPIYCU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds5

About 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine

5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79497656) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79497656
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-4-10-18-14(16)17-11-15(18,5-2)12-6-8-13(19-3)9-7-12/h4,6-9H,1,5,10-11H2,2-3H3,(H2,16,17)
InChIKeyBVURPPZULPIYCU-UHFFFAOYSA-N
XLogP2.12
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
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-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine (CID 79497656) is 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(CC)c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is BVURPPZULPIYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-10-18-14(16)17-11-15(18,5-2)12-6-8-13(19-3)9-7-12/h4,6-9H,1,5,10-11H2,2-3H3,(H2,16,17).
What are the key properties of 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79497656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).