N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride

C18H26Cl2F3N5 — CID 118290309

IUPACN,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride
SMILESCN(C)CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H24F3N5.2ClH/c1-25(2)9-10-26-12-15(24-17(26)13-3-6-22-7-4-13)14-5-8-23-16(11-14)18(19,20)21;;/h5,8,11-13,22H,3-4,6-7,9-10H2,1-2H3;2*1H
InChIKeyCSGABGTVORHCJC-UHFFFAOYSA-N
MW440.34 g/mol
LogP3.84
Rot. Bonds5

About N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride

N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride (PubChem CID 118290309) has the molecular formula C18H26Cl2F3N5 and a molecular weight of 440.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride
PubChem CID118290309
Molecular FormulaC18H26Cl2F3N5
Molecular Weight440.34 g/mol
Exact Mass439.15
IUPAC NameN,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride
SMILESCN(C)CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H24F3N5.2ClH/c1-25(2)9-10-26-12-15(24-17(26)13-3-6-22-7-4-13)14-5-8-23-16(11-14)18(19,20)21;;/h5,8,11-13,22H,3-4,6-7,9-10H2,1-2H3;2*1H
InChIKeyCSGABGTVORHCJC-UHFFFAOYSA-N
XLogP3.84
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 118300548
2-[4-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylimidazol-1-yl]-N,N-dimethylethanamine;trihydrochloride
CID 67264736
6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 118300551
4-[1-[2-(azetidin-1-yl)ethyl]-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-4-yl]-2-(trifluoromethyl)pyridine
CID 90454194
2-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 123577380
3-amino-2-bromo-N'-methyl-3-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]prop-2-enimidamide
CID 144554961
5-ethyl-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89442676
4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442702
tert-butyl 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264844
4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
CID 89442750
tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67265131
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 89442552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride (CID 118290309) is N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride is CN(C)CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCNCC1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride?
The InChIKey is CSGABGTVORHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5.2ClH/c1-25(2)9-10-26-12-15(24-17(26)13-3-6-22-7-4-13)14-5-8-23-16(11-14)18(19,20)21;;/h5,8,11-13,22H,3-4,6-7,9-10H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride?
N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride has a molecular weight of 440.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 118290309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).