5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one

C13H8F2N2O — CID 122656600

IUPAC5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(F)cccc3F)cc2[nH]1
InChIInChI=1S/C13H8F2N2O/c14-8-2-1-3-9(15)12(8)7-4-5-10-11(6-7)17-13(18)16-10/h1-6H,(H2,16,17,18)
InChIKeyVLLDTWUBQTYEMA-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.80
Rot. Bonds1

About 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one

5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656600) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656600
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(F)cccc3F)cc2[nH]1
InChIInChI=1S/C13H8F2N2O/c14-8-2-1-3-9(15)12(8)7-4-5-10-11(6-7)17-13(18)16-10/h1-6H,(H2,16,17,18)
InChIKeyVLLDTWUBQTYEMA-UHFFFAOYSA-N
XLogP2.80
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one (CID 122656600) is 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(F)cccc3F)cc2[nH]1.
What is the InChIKey of 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VLLDTWUBQTYEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-8-2-1-3-9(15)12(8)7-4-5-10-11(6-7)17-13(18)16-10/h1-6H,(H2,16,17,18).
What are the key properties of 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 246.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).