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

C15H26F3N3 — CID 116536432

IUPAC1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
SMILESCC1(CCCC(F)(F)F)CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C15H26F3N3/c1-14(9-6-10-15(16,17)18)11-20-13(19)21(14)12-7-4-2-3-5-8-12/h12H,2-11H2,1H3,(H2,19,20)
InChIKeyMZAZDXKFENLTJB-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.83
Rot. Bonds4

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

1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine (PubChem CID 116536432) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
PubChem CID116536432
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
SMILESCC1(CCCC(F)(F)F)CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C15H26F3N3/c1-14(9-6-10-15(16,17)18)11-20-13(19)21(14)12-7-4-2-3-5-8-12/h12H,2-11H2,1H3,(H2,19,20)
InChIKeyMZAZDXKFENLTJB-UHFFFAOYSA-N
XLogP3.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cycloheptyl-5-methyl-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 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The IUPAC name of 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine (CID 116536432) is 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine is CC1(CCCC(F)(F)F)CN=C(N)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The InChIKey is MZAZDXKFENLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3/c1-14(9-6-10-15(16,17)18)11-20-13(19)21(14)12-7-4-2-3-5-8-12/h12H,2-11H2,1H3,(H2,19,20).
What are the key properties of 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 116536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).