2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

C14H16F3N3 — CID 114422504

IUPAC2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC1CCNC(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1
InChIInChI=1S/C14H16F3N3/c1-8-4-5-18-12(6-8)13-19-10-3-2-9(14(15,16)17)7-11(10)20-13/h2-3,7-8,12,18H,4-6H2,1H3,(H,19,20)
InChIKeyIDJMEBFTKPDJFB-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.64
Rot. Bonds1

About 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 114422504) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID114422504
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC1CCNC(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1
InChIInChI=1S/C14H16F3N3/c1-8-4-5-18-12(6-8)13-19-10-3-2-9(14(15,16)17)7-11(10)20-13/h2-3,7-8,12,18H,4-6H2,1H3,(H,19,20)
InChIKeyIDJMEBFTKPDJFB-UHFFFAOYSA-N
XLogP3.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455819
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456409
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 86637332
[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexyl]carbamic acid
CID 68552156
2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol
CID 86699016
N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
CID 81456210
cyclopropyl-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137017
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 114422504) is 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is CC1CCNC(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is IDJMEBFTKPDJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8-4-5-18-12(6-8)13-19-10-3-2-9(14(15,16)17)7-11(10)20-13/h2-3,7-8,12,18H,4-6H2,1H3,(H,19,20).
What are the key properties of 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 283.30 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 114422504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).