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

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Related Compounds

3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole
CID 56781767
(3S,4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 144825309
methyl (2R,6R)-6-methyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-2-carboxylate
CID 97064946
(2S)-3-methyl-2-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]butanenitrile
CID 95621782
1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909336
2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908506
2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 22938673
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 75374967
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 103575425
4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
CID 120909021

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).