1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C12H14F3N3 — CID 59177162

IUPAC1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCCn1c(C(C)N)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H14F3N3/c1-3-18-10-6-8(12(13,14)15)4-5-9(10)17-11(18)7(2)16/h4-7H,3,16H2,1-2H3
InChIKeyDMOIIOXBBHTATM-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.09
Rot. Bonds2

About 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine

1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 59177162) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID59177162
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCCn1c(C(C)N)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H14F3N3/c1-3-18-10-6-8(12(13,14)15)4-5-9(10)17-11(18)7(2)16/h4-7H,3,16H2,1-2H3
InChIKeyDMOIIOXBBHTATM-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 59177157
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-N-pyrimidin-5-ylsulfanylethanamine
CID 143667865
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide
CID 24985571
(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-N-(4-phenylphenyl)sulfanylethanamine
CID 143667958
(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 54757558
3-amino-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 89272255
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1-oxidopyridin-1-ium-4-sulfonamide
CID 59177112
3-chloro-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 72535695
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-methylcarbamic acid
CID 68886779

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 59177162) is 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine is CCn1c(C(C)N)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is DMOIIOXBBHTATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-3-18-10-6-8(12(13,14)15)4-5-9(10)17-11(18)7(2)16/h4-7H,3,16H2,1-2H3.
What are the key properties of 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 257.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 59177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).