4-bromobenzimidazol-2-one

C7H3BrN2O — CID 21434387

IUPAC4-bromobenzimidazol-2-one
SMILESO=C1N=c2cccc(Br)c2=N1
InChIInChI=1S/C7H3BrN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H
InChIKeyXULSREDQDZCYBC-UHFFFAOYSA-N
MW211.02 g/mol
LogP0.82
Rot. Bonds

About 4-bromobenzimidazol-2-one

4-bromobenzimidazol-2-one (PubChem CID 21434387) has the molecular formula C7H3BrN2O and a molecular weight of 211.02 g/mol. Its IUPAC name is 4-bromobenzimidazol-2-one.

Molecular Properties

Compound Name4-bromobenzimidazol-2-one
PubChem CID21434387
Molecular FormulaC7H3BrN2O
Molecular Weight211.02 g/mol
Exact Mass209.94
IUPAC Name4-bromobenzimidazol-2-one
SMILESO=C1N=c2cccc(Br)c2=N1
InChIInChI=1S/C7H3BrN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H
InChIKeyXULSREDQDZCYBC-UHFFFAOYSA-N
XLogP0.82
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzimidazol-2-one?
The IUPAC name of 4-bromobenzimidazol-2-one (CID 21434387) is 4-bromobenzimidazol-2-one.
What is the SMILES notation for 4-bromobenzimidazol-2-one?
The canonical SMILES for 4-bromobenzimidazol-2-one is O=C1N=c2cccc(Br)c2=N1.
What is the InChIKey of 4-bromobenzimidazol-2-one?
The InChIKey is XULSREDQDZCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H.
What are the key properties of 4-bromobenzimidazol-2-one?
4-bromobenzimidazol-2-one has a molecular weight of 211.02 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzimidazol-2-one is sourced from PubChem (CID 21434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).