[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide

C11H11F3N3O- — CID 158004110

IUPAC[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
SMILESCOCCn1c([NH-])nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H11F3N3O/c1-18-5-4-17-9-3-2-7(11(12,13)14)6-8(9)16-10(17)15/h2-3,6H,4-5H2,1H3,(H-,15,16)/q-1
InChIKeyFEBROFFUWBLDLU-UHFFFAOYSA-N
MW258.22 g/mol
LogP3.39
Rot. Bonds3

About [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide

[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide (PubChem CID 158004110) has the molecular formula C11H11F3N3O- and a molecular weight of 258.22 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
PubChem CID158004110
Molecular FormulaC11H11F3N3O-
Molecular Weight258.22 g/mol
Exact Mass258.09
IUPAC Name[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
SMILESCOCCn1c([NH-])nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H11F3N3O/c1-18-5-4-17-9-3-2-7(11(12,13)14)6-8(9)16-10(17)15/h2-3,6H,4-5H2,1H3,(H-,15,16)/q-1
InChIKeyFEBROFFUWBLDLU-UHFFFAOYSA-N
XLogP3.39
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole
CID 46309081
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46308540
3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 81456416
2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 81455058
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-ethoxyethyl)-5-(trifluoromethyl)benzimidazole
CID 46309205
1-(2-methoxyethyl)-4-prop-2-ynyl-6-(trifluoromethyl)quinoxaline-2,3-dione
CID 3620983
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide?
The IUPAC name of [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide (CID 158004110) is [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide.
What is the SMILES notation for [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide?
The canonical SMILES for [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide is COCCn1c([NH-])nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide?
The InChIKey is FEBROFFUWBLDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N3O/c1-18-5-4-17-9-3-2-7(11(12,13)14)6-8(9)16-10(17)15/h2-3,6H,4-5H2,1H3,(H-,15,16)/q-1.
What are the key properties of [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide?
[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide has a molecular weight of 258.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide is sourced from PubChem (CID 158004110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).