2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol

C17H21F2N3O — CID 118662239

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol
SMILESCc1cc(-c2cn(CCO)c([C@@H]3CCNC[C@@H]3F)n2)ccc1F
InChIInChI=1S/C17H21F2N3O/c1-11-8-12(2-3-14(11)18)16-10-22(6-7-23)17(21-16)13-4-5-20-9-15(13)19/h2-3,8,10,13,15,20,23H,4-7,9H2,1H3/t13-,15+/m1/s1
InChIKeyOYJKAOGFTCRQRH-HIFRSBDPSA-N
MW321.37 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol

2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol (PubChem CID 118662239) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol
PubChem CID118662239
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol
SMILESCc1cc(-c2cn(CCO)c([C@@H]3CCNC[C@@H]3F)n2)ccc1F
InChIInChI=1S/C17H21F2N3O/c1-11-8-12(2-3-14(11)18)16-10-22(6-7-23)17(21-16)13-4-5-20-9-15(13)19/h2-3,8,10,13,15,20,23H,4-7,9H2,1H3/t13-,15+/m1/s1
InChIKeyOYJKAOGFTCRQRH-HIFRSBDPSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 89442552
tert-butyl (3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidine-1-carboxylate
CID 90424480
2-[(3S)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidin-1-yl]pyrimidine-5-carboxamide
CID 90425330
2-[4-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylimidazol-1-yl]-N,N-dimethylethanamine;trihydrochloride
CID 67264736
6-[4-[1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]cyclohexyl]-5-propan-2-ylpyrimidin-4-amine
CID 71516788
[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol
CID 86688151
tert-butyl 3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 90424254
4-amino-6-[(3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidin-1-yl]pyrimidine-5-carboxamide
CID 86267782
4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67264904
6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
CID 90424644
4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
CID 89442750
9-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-8-methyl-5,6,7,8-tetrahydro-4H-1,3-diazonine
CID 131994265

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol (CID 118662239) is 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol is Cc1cc(-c2cn(CCO)c([C@@H]3CCNC[C@@H]3F)n2)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol?
The InChIKey is OYJKAOGFTCRQRH-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-11-8-12(2-3-14(11)18)16-10-22(6-7-23)17(21-16)13-4-5-20-9-15(13)19/h2-3,8,10,13,15,20,23H,4-7,9H2,1H3/t13-,15+/m1/s1.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol?
2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol has a molecular weight of 321.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol is sourced from PubChem (CID 118662239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).