5,6-Dichloro-1,3-Dihydro-2H-Benzimidazol-2-One

HCID 9899148

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Basic information

CAS: 2033-29-6
Standard SMILES: O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]1
InChIKey: HQBYAESCKCDTDJ-UHFFFAOYSA-N
Molecular formula: C7H4Cl2N2O
Average molar mass: 203.02 g/mol
Monoisotopic mass: 201.97006811

Names & identifiers

Preferred name: 5,6-Dichloro-1,3-Dihydro-2H-Benzimidazol-2-One
IUPAC: 5,6-dichloro-1,3-dihydrobenzimidazol-2-one
English name: 5,6-Dichloro-1H-benzo[d]imidazol-2(3H)-one
Molecular formula: C7H4Cl2N2O
Molecular weight: 203.03

Names & synonyms

5,6-Dichloro-1,3-dihydro-2H-benzimidazol-2-oneRefChem:527979107-160-15,6-Dichloro-1H-benzo[d]imidazol-2(3H)-one2033-29-65,6-Dichloro-1,3-dihydrobenzimidazol-2-oneMFCD129637642H-Benzimidazol-2-one, 5,6-dichloro-1,3-dihydro-5,6-Dichloro-1,3-dihydro-2H-benzimidazol-2-one; 5,6-Dichloro-1,3-dihydrobenzimidazol-2-one; 5,6-Dichloro-1H-benzimidazol-2(3H)-one5,6-Dichloro-1,3-dihydro-2H-benzo[d]imidazol-2-one3YZ7SK2GYZSCHEMBL640124

Show more names

2-Benzimidazolinone, 5,6-dichloro-5,6-Dichlorobenzimidazol-2(3H)-oneDichloro-1H-benzo[d]imidazol-2(3H)-one5,6

5,6-dichloro-2,3-dihydro-1H-1,3-benzodiazol-2-oneSCHEMBL6219325SCHEMBL7393275SCHEMBL7397094SCHEMBL7402877DTXSID30432532HQBYAESCKCDTDJ-UHFFFAOYSA-NCS-M3185

Database identifiers

CAS: 2033-29-6
PubChem CID: 9899148
DTXSID: DTXSID30432532
UNII: 3YZ7SK2GYZ
EC Number: 107-160-1
Nikkaji: J740.024A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 345 °C · 345 °C
Boiling point: 194.9 · 194.9±33.0 °C(Predicted)
Density: 1.549 · 1.549±0.06 g/cm3(Predicted)
storage temp.: Room temperature.
pka: 9.94 · 9.94±0.30(Predicted)
Appearance: Light brown to brown Solid
InChI: InChI=1S/C7H4Cl2N2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey: HQBYAESCKCDTDJ-UHFFFAOYSA-N
SMILES: C1(=O)NC2=CC(Cl)=C(Cl)C=C2N1