3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one

C13H15FN2O — CID 117208462

IUPAC3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1C1CCCCC1
InChIInChI=1S/C13H15FN2O/c14-9-6-7-11-12(8-9)16(13(17)15-11)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,17)
InChIKeyASEPZOGWEDLJEX-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.97
Rot. Bonds1

About 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one

3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one (PubChem CID 117208462) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
PubChem CID117208462
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1C1CCCCC1
InChIInChI=1S/C13H15FN2O/c14-9-6-7-11-12(8-9)16(13(17)15-11)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,17)
InChIKeyASEPZOGWEDLJEX-UHFFFAOYSA-N
XLogP2.97
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one (CID 117208462) is 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)cc2n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one?
The InChIKey is ASEPZOGWEDLJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-9-6-7-11-12(8-9)16(13(17)15-11)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,17).
What are the key properties of 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one?
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 117208462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).