2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine

C13H14F3N3O — CID 62389887

IUPAC2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine
SMILESFC(F)(F)Cn1c(C2CNCCO2)nc2ccccc21
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)8-19-10-4-2-1-3-9(10)18-12(19)11-7-17-5-6-20-11/h1-4,11,17H,5-8H2
InChIKeyMXEQJCSXNHQFIY-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.26
Rot. Bonds2

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

2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine (PubChem CID 62389887) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine
PubChem CID62389887
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine
SMILESFC(F)(F)Cn1c(C2CNCCO2)nc2ccccc21
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)8-19-10-4-2-1-3-9(10)18-12(19)11-7-17-5-6-20-11/h1-4,11,17H,5-8H2
InChIKeyMXEQJCSXNHQFIY-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyethyl)benzimidazol-2-yl]morpholine;dihydrochloride
CID 170916966
2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62388125
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
3-(1-methylpiperazin-2-yl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 120959607
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
2-cinnolin-3-ylmorpholine
CID 116988006
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
CID 175057403
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 175070993
2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)morpholine
CID 105477187
2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
CID 64673399
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine (CID 62389887) is 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine is FC(F)(F)Cn1c(C2CNCCO2)nc2ccccc21.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine?
The InChIKey is MXEQJCSXNHQFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)8-19-10-4-2-1-3-9(10)18-12(19)11-7-17-5-6-20-11/h1-4,11,17H,5-8H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine?
2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine has a molecular weight of 285.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]morpholine is sourced from PubChem (CID 62389887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).