2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile

C17H17F3N4 — CID 100670291

IUPAC2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C17H17F3N4/c18-17(19,20)15-9-22-16(23-15)14-6-3-7-24(11-14)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14H,3,6-7,10-11H2,(H,22,23)/t14-/m0/s1
InChIKeyKGWKEBYMPGKMLR-AWEZNQCLSA-N
MW334.35 g/mol
LogP3.68
Rot. Bonds3

About 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile

2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 100670291) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID100670291
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C17H17F3N4/c18-17(19,20)15-9-22-16(23-15)14-6-3-7-24(11-14)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14H,3,6-7,10-11H2,(H,22,23)/t14-/m0/s1
InChIKeyKGWKEBYMPGKMLR-AWEZNQCLSA-N
XLogP3.68
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 128963917
2-fluoro-4-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 100670320
4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124889899
2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 124850659
3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 129001837
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
1-methyl-5-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyrrole-3-carbonitrile
CID 128996045
1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]but-2-yn-1-one
CID 125142252
2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 55136618
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 172892296
1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 167890054

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile (CID 100670291) is 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is KGWKEBYMPGKMLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F3N4/c18-17(19,20)15-9-22-16(23-15)14-6-3-7-24(11-14)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14H,3,6-7,10-11H2,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 334.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 100670291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).