2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole

C20H21F3N4 — CID 155052477

IUPAC2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CC(F)(F)F
InChIInChI=1S/C20H21F3N4/c1-13-6-5-11-24-18(13)16-9-4-10-17(27(16)12-20(21,22)23)19-25-14-7-2-3-8-15(14)26-19/h2-3,5-8,11,16-17H,4,9-10,12H2,1H3,(H,25,26)/t16-,17+/m0/s1
InChIKeyKMHUQDZRJMEDGD-DLBZAZTESA-N
MW374.41 g/mol
LogP5.10
Rot. Bonds3

About 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole

2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole (PubChem CID 155052477) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole
PubChem CID155052477
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CC(F)(F)F
InChIInChI=1S/C20H21F3N4/c1-13-6-5-11-24-18(13)16-9-4-10-17(27(16)12-20(21,22)23)19-25-14-7-2-3-8-15(14)26-19/h2-3,5-8,11,16-17H,4,9-10,12H2,1H3,(H,25,26)/t16-,17+/m0/s1
InChIKeyKMHUQDZRJMEDGD-DLBZAZTESA-N
XLogP5.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole with MolForge

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Related Compounds

(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
CID 154620192
3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 170281779
[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
CID 67421095
3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
CID 143224794
2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine
CID 67421836
4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424480
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424263
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223902
4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;3-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propanenitrile;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)benzimidazole;1-methyl-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)-1H-benzimidazole
CID 163846515
2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
CID 124757526

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole (CID 155052477) is 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CC(F)(F)F.
What is the InChIKey of 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole?
The InChIKey is KMHUQDZRJMEDGD-DLBZAZTESA-N. The full InChI is InChI=1S/C20H21F3N4/c1-13-6-5-11-24-18(13)16-9-4-10-17(27(16)12-20(21,22)23)19-25-14-7-2-3-8-15(14)26-19/h2-3,5-8,11,16-17H,4,9-10,12H2,1H3,(H,25,26)/t16-,17+/m0/s1.
What are the key properties of 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole?
2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole has a molecular weight of 374.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 155052477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).