N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide

C11H10F3N3O2 — CID 649424

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C11H10F3N3O2/c1-16-7-4-3-6(15-9(18)11(12,13)14)5-8(7)17(2)10(16)19/h3-5H,1-2H3,(H,15,18)
InChIKeyYJXATMBHASUMTG-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.38
Rot. Bonds1

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 649424) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID649424
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C11H10F3N3O2/c1-16-7-4-3-6(15-9(18)11(12,13)14)5-8(7)17(2)10(16)19/h3-5H,1-2H3,(H,15,18)
InChIKeyYJXATMBHASUMTG-UHFFFAOYSA-N
XLogP1.38
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide (CID 649424) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide is Cn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is YJXATMBHASUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-16-7-4-3-6(15-9(18)11(12,13)14)5-8(7)17(2)10(16)19/h3-5H,1-2H3,(H,15,18).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 273.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 649424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).