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

C13H8ClFN2O — CID 117208349

IUPAC5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1-c1cccc(F)c1
InChIInChI=1S/C13H8ClFN2O/c14-8-4-5-11-12(6-8)17(13(18)16-11)10-3-1-2-9(15)7-10/h1-7H,(H,16,18)
InChIKeyZKUSLSUNJWSVCD-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.11
Rot. Bonds1

About 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one

5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one (PubChem CID 117208349) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
PubChem CID117208349
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1-c1cccc(F)c1
InChIInChI=1S/C13H8ClFN2O/c14-8-4-5-11-12(6-8)17(13(18)16-11)10-3-1-2-9(15)7-10/h1-7H,(H,16,18)
InChIKeyZKUSLSUNJWSVCD-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one (CID 117208349) is 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1-c1cccc(F)c1.
What is the InChIKey of 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one?
The InChIKey is ZKUSLSUNJWSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-8-4-5-11-12(6-8)17(13(18)16-11)10-3-1-2-9(15)7-10/h1-7H,(H,16,18).
What are the key properties of 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one?
5-chloro-3-(3-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 5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).