2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole

C14H16F3N3 — CID 62388125

IUPAC2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFC(F)(F)Cn1c(C2CCCCN2)nc2ccccc21
InChIInChI=1S/C14H16F3N3/c15-14(16,17)9-20-12-7-2-1-5-10(12)19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2
InChIKeyAXHKOECEMNLEHU-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.41
Rot. Bonds2

About 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole

2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 62388125) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID62388125
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFC(F)(F)Cn1c(C2CCCCN2)nc2ccccc21
InChIInChI=1S/C14H16F3N3/c15-14(16,17)9-20-12-7-2-1-5-10(12)19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2
InChIKeyAXHKOECEMNLEHU-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64559378
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CID 62389887
1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
CID 46311065
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162925
1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
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1-ethyl-2-[(2S)-piperidin-2-yl]indole
CID 97181724

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole (CID 62388125) is 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole is FC(F)(F)Cn1c(C2CCCCN2)nc2ccccc21.
What is the InChIKey of 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is AXHKOECEMNLEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c15-14(16,17)9-20-12-7-2-1-5-10(12)19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2.
What are the key properties of 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole?
2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 283.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 62388125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).