4-fluorobenzimidazol-2-one

C7H3FN2O — CID 54006931

IUPAC4-fluorobenzimidazol-2-one
SMILESO=C1N=c2cccc(F)c2=N1
InChIInChI=1S/C7H3FN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H
InChIKeyKPNXATTYRKUYBA-UHFFFAOYSA-N
MW150.11 g/mol
LogP0.20
Rot. Bonds

About 4-fluorobenzimidazol-2-one

4-fluorobenzimidazol-2-one (PubChem CID 54006931) has the molecular formula C7H3FN2O and a molecular weight of 150.11 g/mol. Its IUPAC name is 4-fluorobenzimidazol-2-one.

Molecular Properties

Compound Name4-fluorobenzimidazol-2-one
PubChem CID54006931
Molecular FormulaC7H3FN2O
Molecular Weight150.11 g/mol
Exact Mass150.02
IUPAC Name4-fluorobenzimidazol-2-one
SMILESO=C1N=c2cccc(F)c2=N1
InChIInChI=1S/C7H3FN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H
InChIKeyKPNXATTYRKUYBA-UHFFFAOYSA-N
XLogP0.20
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluorobenzimidazol-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-fluorobenzimidazol-2-one?
The IUPAC name of 4-fluorobenzimidazol-2-one (CID 54006931) is 4-fluorobenzimidazol-2-one.
What is the SMILES notation for 4-fluorobenzimidazol-2-one?
The canonical SMILES for 4-fluorobenzimidazol-2-one is O=C1N=c2cccc(F)c2=N1.
What is the InChIKey of 4-fluorobenzimidazol-2-one?
The InChIKey is KPNXATTYRKUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H.
What are the key properties of 4-fluorobenzimidazol-2-one?
4-fluorobenzimidazol-2-one has a molecular weight of 150.11 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzimidazol-2-one is sourced from PubChem (CID 54006931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).