[2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate

C16H18F3N3O3 — CID 11279761

IUPAC[2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C
InChIInChI=1S/C16H18F3N3O3/c1-4-22(5-2)13(23)9-25-14(24)10-6-7-12-11(8-10)20-15(21(12)3)16(17,18)19/h6-8H,4-5,9H2,1-3H3
InChIKeyXUAOXWXLVASZNU-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.62
Rot. Bonds5

About [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate

[2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate (PubChem CID 11279761) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate
PubChem CID11279761
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name[2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C
InChIInChI=1S/C16H18F3N3O3/c1-4-22(5-2)13(23)9-25-14(24)10-6-7-12-11(8-10)20-15(21(12)3)16(17,18)19/h6-8H,4-5,9H2,1-3H3
InChIKeyXUAOXWXLVASZNU-UHFFFAOYSA-N
XLogP2.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate (CID 11279761) is [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate is CCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate?
The InChIKey is XUAOXWXLVASZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-4-22(5-2)13(23)9-25-14(24)10-6-7-12-11(8-10)20-15(21(12)3)16(17,18)19/h6-8H,4-5,9H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate?
[2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate has a molecular weight of 357.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 11279761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).