5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine

C15H19N3 — CID 55048395

IUPAC5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccc(CC)cc2)c1N
InChIInChI=1S/C15H19N3/c1-4-10-18-11(3)17-14(15(18)16)13-8-6-12(5-2)7-9-13/h4,6-9H,1,5,10,16H2,2-3H3
InChIKeyNIPKHWHXKQVJIH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.19
Rot. Bonds4

About 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine

5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (PubChem CID 55048395) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
PubChem CID55048395
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccc(CC)cc2)c1N
InChIInChI=1S/C15H19N3/c1-4-10-18-11(3)17-14(15(18)16)13-8-6-12(5-2)7-9-13/h4,6-9H,1,5,10,16H2,2-3H3
InChIKeyNIPKHWHXKQVJIH-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.19
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-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (CID 55048395) is 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2ccc(CC)cc2)c1N.
What is the InChIKey of 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is NIPKHWHXKQVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-10-18-11(3)17-14(15(18)16)13-8-6-12(5-2)7-9-13/h4,6-9H,1,5,10,16H2,2-3H3.
What are the key properties of 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 55048395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).