N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide

C8H6FN3O2 — CID 169168968

IUPACN-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide
SMILESO=CNc1cc2[nH]c(=O)[nH]c2cc1F
InChIInChI=1S/C8H6FN3O2/c9-4-1-6-7(12-8(14)11-6)2-5(4)10-3-13/h1-3H,(H,10,13)(H2,11,12,14)
InChIKeyPQJUCFDYJJLKOA-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.56
Rot. Bonds2

About N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide

N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide (PubChem CID 169168968) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide
PubChem CID169168968
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC NameN-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide
SMILESO=CNc1cc2[nH]c(=O)[nH]c2cc1F
InChIInChI=1S/C8H6FN3O2/c9-4-1-6-7(12-8(14)11-6)2-5(4)10-3-13/h1-3H,(H,10,13)(H2,11,12,14)
InChIKeyPQJUCFDYJJLKOA-UHFFFAOYSA-N
XLogP0.56
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide?
The IUPAC name of N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide (CID 169168968) is N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide?
The canonical SMILES for N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide is O=CNc1cc2[nH]c(=O)[nH]c2cc1F.
What is the InChIKey of N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide?
The InChIKey is PQJUCFDYJJLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c9-4-1-6-7(12-8(14)11-6)2-5(4)10-3-13/h1-3H,(H,10,13)(H2,11,12,14).
What are the key properties of N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide?
N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide has a molecular weight of 195.15 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide is sourced from PubChem (CID 169168968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).