3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one

C13H8ClFN2O — CID 110491173

IUPAC3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C13H8ClFN2O/c14-8-2-1-3-10(6-8)17-12-5-4-9(15)7-11(12)16-13(17)18/h1-7H,(H,16,18)
InChIKeyUTFBBRWUKIDWLD-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.11
Rot. Bonds1

About 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one

3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one (PubChem CID 110491173) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
PubChem CID110491173
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C13H8ClFN2O/c14-8-2-1-3-10(6-8)17-12-5-4-9(15)7-11(12)16-13(17)18/h1-7H,(H,16,18)
InChIKeyUTFBBRWUKIDWLD-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 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one (CID 110491173) is 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one?
The InChIKey is UTFBBRWUKIDWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-8-2-1-3-10(6-8)17-12-5-4-9(15)7-11(12)16-13(17)18/h1-7H,(H,16,18).
What are the key properties of 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one?
3-(3-chlorophenyl)-6-fluoro-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 3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 110491173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).