4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one

C14H11FN2O2 — CID 117209214

IUPAC4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccccc1-n1c(=O)[nH]c2cccc(F)c21
InChIInChI=1S/C14H11FN2O2/c1-19-12-8-3-2-7-11(12)17-13-9(15)5-4-6-10(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyMBKBZFSGWSCDEJ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.47
Rot. Bonds2

About 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one

4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one (PubChem CID 117209214) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
PubChem CID117209214
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccccc1-n1c(=O)[nH]c2cccc(F)c21
InChIInChI=1S/C14H11FN2O2/c1-19-12-8-3-2-7-11(12)17-13-9(15)5-4-6-10(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyMBKBZFSGWSCDEJ-UHFFFAOYSA-N
XLogP2.47
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one (CID 117209214) is 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one is COc1ccccc1-n1c(=O)[nH]c2cccc(F)c21.
What is the InChIKey of 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is MBKBZFSGWSCDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-19-12-8-3-2-7-11(12)17-13-9(15)5-4-6-10(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one?
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117209214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).