1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole

HCID 755572

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Basic information

CAS: 124443-67-0
Standard SMILES: Fc1ccc(Cn2cnc3ccccc32)cc1
InChIKey: QLQZBMMYHJKDSH-UHFFFAOYSA-N
Molecular formula: C14H11FN2
Average molar mass: 226.25 g/mol

Names & identifiers

Preferred name: 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
IUPAC: 1-[(4-fluorophenyl)methyl]benzimidazole
English name: 1-(4-fluorobenzyl)-1H-benzo[d]imidazole
Molecular formula: C14H11FN2
Molecular weight: 226.25

Names & synonyms

124443-67-01-[(4-fluorophenyl)methyl]-1h-1,3-benzodiazole1-((4-fluorophenyl)methyl)-1H-1,3-benzodiazoleRefChem:418655898-408-41-[(4-fluorophenyl)methyl]benzimidazole1-(4-fluorobenzyl)-1H-benzimidazole1-(4-fluorobenzyl)-1H-benzo[d]imidazole1-[(4-fluorophenyl)methyl]-1H-benzimidazoleGQPCambridge id 7355451MLS000594072

Show more names

1H-Benzimidazole, 1-[(4-fluorophenyl)methyl]-

F1250-0003IFLab1_005174SCHEMBL1650533SCHEMBL7834456CHEMBL1541796SCHEMBL22533598SCHEMBL22533873QLQZBMMYHJKDSH-UHFFFAOYSA-N

Database identifiers

CAS: 124443-67-0
PubChem CID: 755572
ChEMBL: CHEMBL1541796
EC Number: 898-408-4
Nikkaji: J284.233E

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 251

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.