2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C9H6F3N3O2 — CID 590731

IUPAC2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)7(16)13-4-1-2-5-6(3-4)15-8(17)14-5/h1-3H,(H,13,16)(H2,14,15,17)
InChIKeyNUFCOZJTDHUROG-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.36
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 590731) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID590731
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)7(16)13-4-1-2-5-6(3-4)15-8(17)14-5/h1-3H,(H,13,16)(H2,14,15,17)
InChIKeyNUFCOZJTDHUROG-UHFFFAOYSA-N
XLogP1.36
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 590731) is 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is NUFCOZJTDHUROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)7(16)13-4-1-2-5-6(3-4)15-8(17)14-5/h1-3H,(H,13,16)(H2,14,15,17).
What are the key properties of 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 245.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 590731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).