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

C12H14F3N3O — CID 106108743

IUPAC2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine
SMILESCOC(CN)c1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C12H14F3N3O/c1-19-10(6-16)11-17-8-4-2-3-5-9(8)18(11)7-12(13,14)15/h2-5,10H,6-7,16H2,1H3
InChIKeyXYNLRSPCRIHFAP-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.24
Rot. Bonds4

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

2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine (PubChem CID 106108743) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine
PubChem CID106108743
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine
SMILESCOC(CN)c1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C12H14F3N3O/c1-19-10(6-16)11-17-8-4-2-3-5-9(8)18(11)7-12(13,14)15/h2-5,10H,6-7,16H2,1H3
InChIKeyXYNLRSPCRIHFAP-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732
2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144442
2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
CID 64673399
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951
N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
CID 55220163
2-methoxy-2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 114144455
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine (CID 106108743) is 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine is COC(CN)c1nc2ccccc2n1CC(F)(F)F.
What is the InChIKey of 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is XYNLRSPCRIHFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-19-10(6-16)11-17-8-4-2-3-5-9(8)18(11)7-12(13,14)15/h2-5,10H,6-7,16H2,1H3.
What are the key properties of 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine?
2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 273.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 106108743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).