N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine

C12H14F3N3 — CID 55220163

IUPACN-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C12H14F3N3/c1-2-16-7-11-17-9-5-3-4-6-10(9)18(11)8-12(13,14)15/h3-6,16H,2,7-8H2,1H3
InChIKeyWGWPZOZXZMCJNV-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.71
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine

N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine (PubChem CID 55220163) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
PubChem CID55220163
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C12H14F3N3/c1-2-16-7-11-17-9-5-3-4-6-10(9)18(11)8-12(13,14)15/h3-6,16H,2,7-8H2,1H3
InChIKeyWGWPZOZXZMCJNV-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
CID 64673399
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine (CID 55220163) is N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine is CCNCc1nc2ccccc2n1CC(F)(F)F.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine?
The InChIKey is WGWPZOZXZMCJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-2-16-7-11-17-9-5-3-4-6-10(9)18(11)8-12(13,14)15/h3-6,16H,2,7-8H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine?
N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine has a molecular weight of 257.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55220163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).