4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride

C11H18ClF3N4 — CID 120909639

IUPAC4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2nccn2CC(F)(F)F)CC1N.Cl
InChIInChI=1S/C11H17F3N4.ClH/c1-8-4-17(5-9(8)15)6-10-16-2-3-18(10)7-11(12,13)14;/h2-3,8-9H,4-7,15H2,1H3;1H
InChIKeyPCNPEBDTOBFMMM-UHFFFAOYSA-N
MW298.74 g/mol
LogP1.65
Rot. Bonds3

About 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909639) has the molecular formula C11H18ClF3N4 and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909639
Molecular FormulaC11H18ClF3N4
Molecular Weight298.74 g/mol
Exact Mass298.12
IUPAC Name4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2nccn2CC(F)(F)F)CC1N.Cl
InChIInChI=1S/C11H17F3N4.ClH/c1-8-4-17(5-9(8)15)6-10-16-2-3-18(10)7-11(12,13)14;/h2-3,8-9H,4-7,15H2,1H3;1H
InChIKeyPCNPEBDTOBFMMM-UHFFFAOYSA-N
XLogP1.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride 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 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120909639) is 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride is CC1CN(Cc2nccn2CC(F)(F)F)CC1N.Cl.
What is the InChIKey of 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is PCNPEBDTOBFMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4.ClH/c1-8-4-17(5-9(8)15)6-10-16-2-3-18(10)7-11(12,13)14;/h2-3,8-9H,4-7,15H2,1H3;1H.
What are the key properties of 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 298.74 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).