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

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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).