5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine

C15H19N3O2 — CID 62224004

IUPAC5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cc(OC)cc(OC)c2)c1N
InChIInChI=1S/C15H19N3O2/c1-5-6-18-10(2)17-14(15(18)16)11-7-12(19-3)9-13(8-11)20-4/h5,7-9H,1,6,16H2,2-4H3
InChIKeyCHOURUYUUADETN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.64
Rot. Bonds5

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

5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (PubChem CID 62224004) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
PubChem CID62224004
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cc(OC)cc(OC)c2)c1N
InChIInChI=1S/C15H19N3O2/c1-5-6-18-10(2)17-14(15(18)16)11-7-12(19-3)9-13(8-11)20-4/h5,7-9H,1,6,16H2,2-4H3
InChIKeyCHOURUYUUADETN-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (CID 62224004) is 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2cc(OC)cc(OC)c2)c1N.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is CHOURUYUUADETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-6-18-10(2)17-14(15(18)16)11-7-12(19-3)9-13(8-11)20-4/h5,7-9H,1,6,16H2,2-4H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62224004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).