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

C9H8Br2N2O — CID 62374918

IUPAC5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C9H8Br2N2O/c1-4(10)5-2-7-8(3-6(5)11)13-9(14)12-7/h2-4H,1H3,(H2,12,13,14)
InChIKeyFLAMENWLBWGVOT-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.07
Rot. Bonds1

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

5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 62374918) has the molecular formula C9H8Br2N2O and a molecular weight of 319.98 g/mol. Its IUPAC name is 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID62374918
Molecular FormulaC9H8Br2N2O
Molecular Weight319.98 g/mol
Exact Mass317.90
IUPAC Name5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C9H8Br2N2O/c1-4(10)5-2-7-8(3-6(5)11)13-9(14)12-7/h2-4H,1H3,(H2,12,13,14)
InChIKeyFLAMENWLBWGVOT-UHFFFAOYSA-N
XLogP3.07
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 10105130
6-bromo-4-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 82184448
5-[1-[(2-Bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43751005
4-bromo-6-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 82184447
7-Bromo-2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
CID 177798093
1-Benzyl-5-bromo-1H-benzo[d]imidazol-2(3H)-one
CID 10017835
4-Bromo-6-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one
CID 11580021
6-bromo-1-(4-piperidinyl)-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 59850200
5-Bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one
CID 87581686
7-Bromo-1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one
CID 99973165
6-bromo-3-methyl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 172074294
5-Bromo-6-trifluoromethyl-1,3-dihydro-benzoimidazol-2-one
CID 11623309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one (CID 62374918) is 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one is CC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FLAMENWLBWGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O/c1-4(10)5-2-7-8(3-6(5)11)13-9(14)12-7/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 319.98 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62374918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).