5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine

C11H18F3N3 — CID 116536429

IUPAC5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-3-7-17-9(15)16-8-10(17,2)5-4-6-11(12,13)14/h3H,1,4-8H2,2H3,(H2,15,16)
InChIKeySEPMQWQYOFBXSZ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.29
Rot. Bonds5

About 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine

5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine (PubChem CID 116536429) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
PubChem CID116536429
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-3-7-17-9(15)16-8-10(17,2)5-4-6-11(12,13)14/h3H,1,4-8H2,2H3,(H2,15,16)
InChIKeySEPMQWQYOFBXSZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine (CID 116536429) is 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)CCCC(F)(F)F.
What is the InChIKey of 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The InChIKey is SEPMQWQYOFBXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-3-7-17-9(15)16-8-10(17,2)5-4-6-11(12,13)14/h3H,1,4-8H2,2H3,(H2,15,16).
What are the key properties of 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 116536429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).