4,5-dibromo-1,3-dihydrobenzimidazol-2-one

C7H4Br2N2O — CID 54499996

IUPAC4,5-dibromo-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Br)c(Br)c2[nH]1
InChIInChI=1S/C7H4Br2N2O/c8-3-1-2-4-6(5(3)9)11-7(12)10-4/h1-2H,(H2,10,11,12)
InChIKeyYBTCLYLBNRPYKU-UHFFFAOYSA-N
MW291.93 g/mol
LogP2.38
Rot. Bonds

About 4,5-dibromo-1,3-dihydrobenzimidazol-2-one

4,5-dibromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 54499996) has the molecular formula C7H4Br2N2O and a molecular weight of 291.93 g/mol. Its IUPAC name is 4,5-dibromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4,5-dibromo-1,3-dihydrobenzimidazol-2-one
PubChem CID54499996
Molecular FormulaC7H4Br2N2O
Molecular Weight291.93 g/mol
Exact Mass289.87
IUPAC Name4,5-dibromo-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Br)c(Br)c2[nH]1
InChIInChI=1S/C7H4Br2N2O/c8-3-1-2-4-6(5(3)9)11-7(12)10-4/h1-2H,(H2,10,11,12)
InChIKeyYBTCLYLBNRPYKU-UHFFFAOYSA-N
XLogP2.38
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.93
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4,5-dibromo-1,3-dihydrobenzimidazol-2-one (CID 54499996) is 4,5-dibromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4,5-dibromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4,5-dibromo-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(Br)c(Br)c2[nH]1.
What is the InChIKey of 4,5-dibromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YBTCLYLBNRPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2O/c8-3-1-2-4-6(5(3)9)11-7(12)10-4/h1-2H,(H2,10,11,12).
What are the key properties of 4,5-dibromo-1,3-dihydrobenzimidazol-2-one?
4,5-dibromo-1,3-dihydrobenzimidazol-2-one has a molecular weight of 291.93 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 54499996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).