2-(3-chlorophenyl)-1H-benzimidazole
Basic information
- CAS
22868-35-5- Standard SMILES
Clc1cccc(-c2nc3ccccc3[nH]2)c1- InChIKey
BGYHTIIVIGGCIF-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.045426
Names & identifiers
- Preferred name
- 2-(3-chlorophenyl)-1H-benzimidazole
- IUPAC
- 2-(3-chlorophenyl)-1H-benzimidazole
- English name
- OTAVA-BB 1325766
- Molecular formula
- C13H9ClN2
- Molecular weight
- 228.68
Names & synonyms
2-(3-chlorophenyl)-1H-benzimidazole2-(3-chlorophenyl)-1H-benzo[d]imidazole2-(3-chlorophenyl)benzimidazole1H-Benzimidazole,2-(3-chlorophenyl)-1h-benzimidazole, 2-(3-chlorophenyl)-G5732-(3-chlorophenyl)-1H-1,3-benzodiazoleG 573MFCD014382822-(m-Chlorophenyl)benzimidazoleOTAVA-BB 1325766ZINC244331
Show more names
G 573 (G573)2-(3-Chlorophenyl)benzimidazole,95%
Benzimidazole, 2-(m-chlorophenyl)-ZINC002443312-(3-Chloro-phenyl)-1H-benzoimidazoleUNII-C4GH7JC4GZCBMicro_048649SCHEMBL694652CHEMBL473164orb1737603
Database identifiers
- CAS
22868-35-5- PubChem CID
- 767074
- ChEMBL
CHEMBL473164- UNII
- C4GH7JC4GZ
- Nikkaji
- J1.676.818I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- form
- Solid
- FDA UNII
- 4 GH7JC4GZ · C4GH7JC4GZ
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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