5,6-dibromo-1,3-dimethylbenzimidazol-2-one

C9H8Br2N2O — CID 3517091

IUPAC5,6-dibromo-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Br)c(Br)cc21
InChIInChI=1S/C9H8Br2N2O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,1-2H3
InChIKeyVWRXODDTEWHJCF-UHFFFAOYSA-N
MW319.98 g/mol
LogP2.40
Rot. Bonds

About 5,6-dibromo-1,3-dimethylbenzimidazol-2-one

5,6-dibromo-1,3-dimethylbenzimidazol-2-one (PubChem CID 3517091) has the molecular formula C9H8Br2N2O and a molecular weight of 319.98 g/mol. Its IUPAC name is 5,6-dibromo-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5,6-dibromo-1,3-dimethylbenzimidazol-2-one
PubChem CID3517091
Molecular FormulaC9H8Br2N2O
Molecular Weight319.98 g/mol
Exact Mass317.90
IUPAC Name5,6-dibromo-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Br)c(Br)cc21
InChIInChI=1S/C9H8Br2N2O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,1-2H3
InChIKeyVWRXODDTEWHJCF-UHFFFAOYSA-N
XLogP2.40
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5,6-dibromo-1,3-dimethylbenzimidazol-2-one (CID 3517091) is 5,6-dibromo-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5,6-dibromo-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5,6-dibromo-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(Br)c(Br)cc21.
What is the InChIKey of 5,6-dibromo-1,3-dimethylbenzimidazol-2-one?
The InChIKey is VWRXODDTEWHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,1-2H3.
What are the key properties of 5,6-dibromo-1,3-dimethylbenzimidazol-2-one?
5,6-dibromo-1,3-dimethylbenzimidazol-2-one has a molecular weight of 319.98 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 3517091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).