5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one

C11H6F6N2O2 — CID 103309353

IUPAC5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6N2O2/c12-10(13,14)8(11(15,16)17)7(20)4-1-2-5-6(3-4)19-9(21)18-5/h1-3,8H,(H2,18,19,21)
InChIKeyKSPRPNDCNZZGJB-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.78
Rot. Bonds2

About 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one

5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 103309353) has the molecular formula C11H6F6N2O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID103309353
Molecular FormulaC11H6F6N2O2
Molecular Weight312.17 g/mol
Exact Mass312.03
IUPAC Name5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6N2O2/c12-10(13,14)8(11(15,16)17)7(20)4-1-2-5-6(3-4)19-9(21)18-5/h1-3,8H,(H2,18,19,21)
InChIKeyKSPRPNDCNZZGJB-UHFFFAOYSA-N
XLogP2.78
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-oxo-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid
CID 116920540
3-methyl-2-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)butanoic acid
CID 116922964
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311154
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one (CID 103309353) is 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KSPRPNDCNZZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O2/c12-10(13,14)8(11(15,16)17)7(20)4-1-2-5-6(3-4)19-9(21)18-5/h1-3,8H,(H2,18,19,21).
What are the key properties of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one?
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 312.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103309353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).