2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole

C14H17F3N4 — CID 62389155

IUPAC2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFC(F)(F)Cn1c(CN2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H17F3N4/c15-14(16,17)10-21-12-4-2-1-3-11(12)19-13(21)9-20-7-5-18-6-8-20/h1-4,18H,5-10H2
InChIKeyLJCQLBJOGHEQSL-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.00
Rot. Bonds3

About 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole

2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 62389155) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID62389155
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFC(F)(F)Cn1c(CN2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H17F3N4/c15-14(16,17)10-21-12-4-2-1-3-11(12)19-13(21)9-20-7-5-18-6-8-20/h1-4,18H,5-10H2
InChIKeyLJCQLBJOGHEQSL-UHFFFAOYSA-N
XLogP2.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
2-(1,4-diazepan-1-ylmethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 58780378
2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
CID 64673399
1-benzyl-2-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]benzimidazole
CID 139721542
N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
CID 55220163
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole (CID 62389155) is 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole is FC(F)(F)Cn1c(CN2CCNCC2)nc2ccccc21.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is LJCQLBJOGHEQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c15-14(16,17)10-21-12-4-2-1-3-11(12)19-13(21)9-20-7-5-18-6-8-20/h1-4,18H,5-10H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 298.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 62389155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).