5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C12H8Br2N2O2 — CID 62374415

IUPAC5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Br)c3ccoc3)cc2[nH]1
InChIInChI=1S/C12H8Br2N2O2/c13-8-4-10-9(15-12(17)16-10)3-7(8)11(14)6-1-2-18-5-6/h1-5,11H,(H2,15,16,17)
InChIKeyGWTRDMOHTATASY-UHFFFAOYSA-N
MW372.02 g/mol
LogP3.70
Rot. Bonds2

About 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62374415) has the molecular formula C12H8Br2N2O2 and a molecular weight of 372.02 g/mol. Its IUPAC name is 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62374415
Molecular FormulaC12H8Br2N2O2
Molecular Weight372.02 g/mol
Exact Mass369.90
IUPAC Name5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Br)c3ccoc3)cc2[nH]1
InChIInChI=1S/C12H8Br2N2O2/c13-8-4-10-9(15-12(17)16-10)3-7(8)11(14)6-1-2-18-5-6/h1-5,11H,(H2,15,16,17)
InChIKeyGWTRDMOHTATASY-UHFFFAOYSA-N
XLogP3.70
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62374415) is 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(Br)c3ccoc3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GWTRDMOHTATASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O2/c13-8-4-10-9(15-12(17)16-10)3-7(8)11(14)6-1-2-18-5-6/h1-5,11H,(H2,15,16,17).
What are the key properties of 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 372.02 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62374415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).