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

C13H8ClFN2O — CID 117206889

IUPAC7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1-c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O/c14-10-2-1-3-11-12(10)16-13(18)17(11)9-6-4-8(15)5-7-9/h1-7H,(H,16,18)
InChIKeyRCKREUJIMNECPO-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.11
Rot. Bonds1

About 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one

7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one (PubChem CID 117206889) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
PubChem CID117206889
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1-c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O/c14-10-2-1-3-11-12(10)16-13(18)17(11)9-6-4-8(15)5-7-9/h1-7H,(H,16,18)
InChIKeyRCKREUJIMNECPO-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

3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206903
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117209251
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117206604
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
7-chloro-3-(3,5-difluorophenyl)-1H-benzimidazole-2-thione
CID 104836238
7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one
CID 117206989
7-chloro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 104836172
2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83834899
3,7-diphenyl-1H-benzimidazol-2-one
CID 174623828

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
The IUPAC name of 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one (CID 117206889) is 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one is O=c1[nH]c2c(Cl)cccc2n1-c1ccc(F)cc1.
What is the InChIKey of 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
The InChIKey is RCKREUJIMNECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-10-2-1-3-11-12(10)16-13(18)17(11)9-6-4-8(15)5-7-9/h1-7H,(H,16,18).
What are the key properties of 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one?
7-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 7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).