Basic information
- CAS
54986-47-9- Standard SMILES
O=c1[nH]c2ccc(Cl)cc2n1-c1ccccc1- InChIKey
UCBSMOSFCAQPAI-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 244.0403406
Names & identifiers
- Preferred name
- 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-
- IUPAC
- 5-chloro-3-phenyl-1H-benzimidazol-2-one
- English name
- 6-Chloro-1,3-dihydro-1-phenyl-2H-benzimidazol-2-one
- Molecular formula
- C13H9ClN2O
- Molecular weight
- 244.68
Names & synonyms
54986-47-92H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-6-chloro-1,3-dihydro-1-phenyl-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 6-chloro-1,3-dihydro-1-phenyl-BRN 06147763-Phenyl-5-chloro-benzimidazolin-2-one1,3-Dihydro-6-chloro-1-phenyl-2H-benzimidazol-2-oneSCHEMBL8886284SCHEMBL10999775SCHEMBL31743953DTXSID802035175-Chloro-2-phenylindazolin-3-one
Show more names
DB-3069631-phenyl-6-chloro-2,3-dihydro-benzimidazol-2-one5-chloro-1,3-dihydro-3-phenyl-2H-benzimidazol-2-one6-Chloro-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one #6-Chloro-1-phenyl-1,3-dihydro-2H-1,3-benzimidazol-2-one
Database identifiers
- CAS
54986-47-9- PubChem CID
- 108653
- DTXSID
DTXSID80203517- Nikkaji
- J103.125B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
10 records
Compound notes
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