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

C13H13F2N3 — CID 62225991

IUPAC5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C13H13F2N3/c1-3-6-18-8(2)17-12(13(18)16)9-4-5-10(14)11(15)7-9/h3-5,7H,1,6,16H2,2H3
InChIKeyHSJHBNFHEBORTD-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.90
Rot. Bonds3

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

5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (PubChem CID 62225991) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
PubChem CID62225991
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C13H13F2N3/c1-3-6-18-8(2)17-12(13(18)16)9-4-5-10(14)11(15)7-9/h3-5,7H,1,6,16H2,2H3
InChIKeyHSJHBNFHEBORTD-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.90
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-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (CID 62225991) is 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2ccc(F)c(F)c2)c1N.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is HSJHBNFHEBORTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-3-6-18-8(2)17-12(13(18)16)9-4-5-10(14)11(15)7-9/h3-5,7H,1,6,16H2,2H3.
What are the key properties of 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 249.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62225991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).