2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole

C18H17F3N4O — CID 133488992

IUPAC2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)26-13-5-6-16(22-11-13)25-9-7-12(8-10-25)17-23-14-3-1-2-4-15(14)24-17/h1-6,11-12H,7-10H2,(H,23,24)
InChIKeyAVJLFVPPXLTYDF-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.24
Rot. Bonds3

About 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 133488992) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID133488992
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)26-13-5-6-16(22-11-13)25-9-7-12(8-10-25)17-23-14-3-1-2-4-15(14)24-17/h1-6,11-12H,7-10H2,(H,23,24)
InChIKeyAVJLFVPPXLTYDF-UHFFFAOYSA-N
XLogP4.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole 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-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
CID 108776236
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
3-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 133490283
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520703
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 134053570
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole (CID 133488992) is 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole is FC(F)(F)Oc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is AVJLFVPPXLTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)26-13-5-6-16(22-11-13)25-9-7-12(8-10-25)17-23-14-3-1-2-4-15(14)24-17/h1-6,11-12H,7-10H2,(H,23,24).
What are the key properties of 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 362.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 133488992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).