5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one

C14H8ClF3N2O2 — CID 122656666

IUPAC5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one
SMILES[3H]c1cc2[nH]c(=O)[nH]c2cc1-c1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)/i4T
InChIKeyCOBXSLRIXGQVGS-IBTRZKOZSA-N
MW330.69 g/mol
LogP4.08
Rot. Bonds2

About 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one

5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656666) has the molecular formula C14H8ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one
PubChem CID122656666
Molecular FormulaC14H8ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.03
IUPAC Name5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one
SMILES[3H]c1cc2[nH]c(=O)[nH]c2cc1-c1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)/i4T
InChIKeyCOBXSLRIXGQVGS-IBTRZKOZSA-N
XLogP4.08
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one (CID 122656666) is 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one is [3H]c1cc2[nH]c(=O)[nH]c2cc1-c1c(Cl)cccc1OC(F)(F)F.
What is the InChIKey of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one?
The InChIKey is COBXSLRIXGQVGS-IBTRZKOZSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)/i4T.
What are the key properties of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one has a molecular weight of 330.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(trifluoromethoxy)phenyl]-6-tritio-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).