2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole

C20H19F4N3 — CID 24731793

IUPAC2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESFc1ccc(C(F)(F)F)cc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H19F4N3/c21-16-6-5-15(20(22,23)24)11-14(16)12-27-9-7-13(8-10-27)19-25-17-3-1-2-4-18(17)26-19/h1-6,11,13H,7-10,12H2,(H,25,26)
InChIKeyOCKDTVFFNPUFHX-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.10
Rot. Bonds3

About 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 24731793) has the molecular formula C20H19F4N3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID24731793
Molecular FormulaC20H19F4N3
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Name2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESFc1ccc(C(F)(F)F)cc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H19F4N3/c21-16-6-5-15(20(22,23)24)11-14(16)12-27-9-7-13(8-10-27)19-25-17-3-1-2-4-18(17)26-19/h1-6,11,13H,7-10,12H2,(H,25,26)
InChIKeyOCKDTVFFNPUFHX-UHFFFAOYSA-N
XLogP5.10
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 42509081
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1453375
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615105
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 74246859
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole (CID 24731793) is 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole is Fc1ccc(C(F)(F)F)cc1CN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is OCKDTVFFNPUFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3/c21-16-6-5-15(20(22,23)24)11-14(16)12-27-9-7-13(8-10-27)19-25-17-3-1-2-4-18(17)26-19/h1-6,11,13H,7-10,12H2,(H,25,26).
What are the key properties of 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 377.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 24731793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).