5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine

C16H20FN3 — CID 63645020

IUPAC5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2ccc(C)c(F)c2)c1N
InChIInChI=1S/C16H20FN3/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-8-7-11(3)13(17)10-12/h5,7-8,10H,2,4,6,9,18H2,1,3H3
InChIKeyVHJBUOLASSERBO-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.72
Rot. Bonds5

About 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine

5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 63645020) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID63645020
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2ccc(C)c(F)c2)c1N
InChIInChI=1S/C16H20FN3/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-8-7-11(3)13(17)10-12/h5,7-8,10H,2,4,6,9,18H2,1,3H3
InChIKeyVHJBUOLASSERBO-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.72
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-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine (CID 63645020) is 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(-c2ccc(C)c(F)c2)c1N.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is VHJBUOLASSERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-8-7-11(3)13(17)10-12/h5,7-8,10H,2,4,6,9,18H2,1,3H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 273.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 63645020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).