5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one

C11H12Br2N2O — CID 62352354

IUPAC5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCC(Br)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C11H12Br2N2O/c1-6(12)7-4-9-10(5-8(7)13)15(3)11(16)14(9)2/h4-6H,1-3H3
InChIKeyOLKNXTWWVOIFEQ-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.10
Rot. Bonds1

About 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one

5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 62352354) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID62352354
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCC(Br)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C11H12Br2N2O/c1-6(12)7-4-9-10(5-8(7)13)15(3)11(16)14(9)2/h4-6H,1-3H3
InChIKeyOLKNXTWWVOIFEQ-UHFFFAOYSA-N
XLogP3.10
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one (CID 62352354) is 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one is CC(Br)c1cc2c(cc1Br)n(C)c(=O)n2C.
What is the InChIKey of 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OLKNXTWWVOIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c1-6(12)7-4-9-10(5-8(7)13)15(3)11(16)14(9)2/h4-6H,1-3H3.
What are the key properties of 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one?
5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 348.04 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-bromoethyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62352354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).