N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine

C8H12F3N3O — CID 103476694

IUPACN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(COCC(F)(F)F)[nH]1
InChIInChI=1S/C8H12F3N3O/c1-12-2-6-3-13-7(14-6)4-15-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,14)
InChIKeyGWYMEEQPPVRVPQ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine

N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine (PubChem CID 103476694) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine
PubChem CID103476694
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(COCC(F)(F)F)[nH]1
InChIInChI=1S/C8H12F3N3O/c1-12-2-6-3-13-7(14-6)4-15-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,14)
InChIKeyGWYMEEQPPVRVPQ-UHFFFAOYSA-N
XLogP1.21
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine 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 N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine (CID 103476694) is N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(COCC(F)(F)F)[nH]1.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is GWYMEEQPPVRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-12-2-6-3-13-7(14-6)4-15-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,14).
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 223.20 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 103476694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).