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

C15H11ClF2N2O2 — CID 122656520

IUPAC5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3OCC(F)F)cc2[nH]1
InChIInChI=1S/C15H11ClF2N2O2/c16-9-2-1-3-12(22-7-13(17)18)14(9)8-4-5-10-11(6-8)20-15(21)19-10/h1-6,13H,7H2,(H2,19,20,21)
InChIKeyMPPPQAPAUXPTSM-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.82
Rot. Bonds4

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

5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656520) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122656520
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC Name5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3OCC(F)F)cc2[nH]1
InChIInChI=1S/C15H11ClF2N2O2/c16-9-2-1-3-12(22-7-13(17)18)14(9)8-4-5-10-11(6-8)20-15(21)19-10/h1-6,13H,7H2,(H2,19,20,21)
InChIKeyMPPPQAPAUXPTSM-UHFFFAOYSA-N
XLogP3.82
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122656520) is 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cccc3OCC(F)F)cc2[nH]1.
What is the InChIKey of 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MPPPQAPAUXPTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c16-9-2-1-3-12(22-7-13(17)18)14(9)8-4-5-10-11(6-8)20-15(21)19-10/h1-6,13H,7H2,(H2,19,20,21).
What are the key properties of 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 324.71 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(2,2-difluoroethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).