6-bromo-1,6-dihydrobenzimidazol-2-one

C7H5BrN2O — CID 71303656

IUPAC6-bromo-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(Br)C=C2N1
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11)
InChIKeyDQVHEDPCPANNCC-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.37
Rot. Bonds

About 6-bromo-1,6-dihydrobenzimidazol-2-one

6-bromo-1,6-dihydrobenzimidazol-2-one (PubChem CID 71303656) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-bromo-1,6-dihydrobenzimidazol-2-one
PubChem CID71303656
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(Br)C=C2N1
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11)
InChIKeyDQVHEDPCPANNCC-UHFFFAOYSA-N
XLogP1.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-1,6-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
CID 71651743
6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
CID 74643944
2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 78595955
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
CID 155295276
6-[(1S,5R)-8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 169489633
5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
CID 71303716
7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304011
3-chloro-N-[(4-fluorophenyl)methyl]-2-methyl-N-(2-oxo-3,5-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 169423122
5-cyclopropyl-N-[(1S,5R)-8-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 154826503
3-bromo-3H-pyridazin-6-one
CID 78174474
1H-thieno[3,4-d]imidazole-2,4-dione
CID 21292269
7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304027

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-bromo-1,6-dihydrobenzimidazol-2-one (CID 71303656) is 6-bromo-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-bromo-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-bromo-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(Br)C=C2N1.
What is the InChIKey of 6-bromo-1,6-dihydrobenzimidazol-2-one?
The InChIKey is DQVHEDPCPANNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11).
What are the key properties of 6-bromo-1,6-dihydrobenzimidazol-2-one?
6-bromo-1,6-dihydrobenzimidazol-2-one has a molecular weight of 213.03 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71303656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).