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

C14H9ClF2N2O2 — CID 122656517

IUPAC5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3OC(F)F)cc2[nH]1
InChIInChI=1S/C14H9ClF2N2O2/c15-8-2-1-3-11(21-13(16)17)12(8)7-4-5-9-10(6-7)19-14(20)18-9/h1-6,13H,(H2,18,19,20)
InChIKeyUVENFVIUNIQWKB-UHFFFAOYSA-N
MW310.69 g/mol
LogP3.78
Rot. Bonds3

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

5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656517) has the molecular formula C14H9ClF2N2O2 and a molecular weight of 310.69 g/mol. Its IUPAC name is 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122656517
Molecular FormulaC14H9ClF2N2O2
Molecular Weight310.69 g/mol
Exact Mass310.03
IUPAC Name5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3OC(F)F)cc2[nH]1
InChIInChI=1S/C14H9ClF2N2O2/c15-8-2-1-3-11(21-13(16)17)12(8)7-4-5-9-10(6-7)19-14(20)18-9/h1-6,13H,(H2,18,19,20)
InChIKeyUVENFVIUNIQWKB-UHFFFAOYSA-N
XLogP3.78
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Chloro-6-(trifluoromethoxy)phenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656423
5-(2-Chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656605
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxy-4-methylphenyl)urea
CID 57392955
3-[(5-chloro-2-methoxyphenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 44290046
5-Amino-6-[2-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 16768729
5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 19771067
5-[2-(2-Chloro-4-methoxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one
CID 67545821
5-(5-Chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 87769019
5-[2-Chloro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122656432
5-(2-Fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656462
5-[2-Chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122656465
4-Chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile
CID 122656475

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122656517) is 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cccc3OC(F)F)cc2[nH]1.
What is the InChIKey of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UVENFVIUNIQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O2/c15-8-2-1-3-11(21-13(16)17)12(8)7-4-5-9-10(6-7)19-14(20)18-9/h1-6,13H,(H2,18,19,20).
What are the key properties of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 310.69 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).