2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C12H14F3N3O — CID 81455058

IUPAC2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCOCC(N)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C12H14F3N3O/c1-18-10-4-3-7(12(13,14)15)5-9(10)17-11(18)8(16)6-19-2/h3-5,8H,6,16H2,1-2H3
InChIKeyTWTWWZBGGKESQW-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.24
Rot. Bonds3

About 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 81455058) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID81455058
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCOCC(N)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C12H14F3N3O/c1-18-10-4-3-7(12(13,14)15)5-9(10)17-11(18)8(16)6-19-2/h3-5,8H,6,16H2,1-2H3
InChIKeyTWTWWZBGGKESQW-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 81455058) is 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is COCC(N)c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is TWTWWZBGGKESQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-18-10-4-3-7(12(13,14)15)5-9(10)17-11(18)8(16)6-19-2/h3-5,8H,6,16H2,1-2H3.
What are the key properties of 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 273.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 81455058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).