2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole

C14H17F3N4 — CID 81456711

IUPAC2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC(c1nc2ccc(C(F)(F)F)cc2[nH]1)N1CCNCC1
InChIInChI=1S/C14H17F3N4/c1-9(21-6-4-18-5-7-21)13-19-11-3-2-10(14(15,16)17)8-12(11)20-13/h2-3,8-9,18H,4-7H2,1H3,(H,19,20)
InChIKeyUPUDMNCVYDCCDD-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81456711) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81456711
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC(c1nc2ccc(C(F)(F)F)cc2[nH]1)N1CCNCC1
InChIInChI=1S/C14H17F3N4/c1-9(21-6-4-18-5-7-21)13-19-11-3-2-10(14(15,16)17)8-12(11)20-13/h2-3,8-9,18H,4-7H2,1H3,(H,19,20)
InChIKeyUPUDMNCVYDCCDD-UHFFFAOYSA-N
XLogP2.55
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
(3R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentane-1,2,3,4-tetrol
CID 162542970
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165372
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171166814
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171292767
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81456711) is 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole is CC(c1nc2ccc(C(F)(F)F)cc2[nH]1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is UPUDMNCVYDCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-9(21-6-4-18-5-7-21)13-19-11-3-2-10(14(15,16)17)8-12(11)20-13/h2-3,8-9,18H,4-7H2,1H3,(H,19,20).
What are the key properties of 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 298.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81456711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).