4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one

C13H8ClFN2O — CID 117209251

IUPAC4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(Cl)c2n1-c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O/c14-10-2-1-3-11-12(10)17(13(18)16-11)9-6-4-8(15)5-7-9/h1-7H,(H,16,18)
InChIKeyXLZFRYJCKYOITH-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one

4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one (PubChem CID 117209251) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
PubChem CID117209251
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(Cl)c2n1-c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O/c14-10-2-1-3-11-12(10)17(13(18)16-11)9-6-4-8(15)5-7-9/h1-7H,(H,16,18)
InChIKeyXLZFRYJCKYOITH-UHFFFAOYSA-N
XLogP3.11
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117206889
3-(2-chlorophenyl)-4-methoxy-1H-benzimidazol-2-one
CID 117209227
3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 107366909
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117209238
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261144
5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261137
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
4-chloro-3-(1,1-dioxothiolan-3-yl)-1H-benzimidazol-2-one
CID 117208544
5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 117208349
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 117209214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one (CID 117209251) is 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one is O=c1[nH]c2cccc(Cl)c2n1-c1ccc(F)cc1.
What is the InChIKey of 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
The InChIKey is XLZFRYJCKYOITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-10-2-1-3-11-12(10)17(13(18)16-11)9-6-4-8(15)5-7-9/h1-7H,(H,16,18).
What are the key properties of 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one has a molecular weight of 262.67 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117209251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).