CAS 4981-92-4 1-Benzyl-1H-benzimidazole (HCID 563347)

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Basic information

CAS: 4981-92-4
Standard SMILES: c1ccc(Cn2cnc3ccccc32)cc1
InChIKey: MNEIJGDSFRHGMS-UHFFFAOYSA-N
Molecular formula: C14H12N2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.10004839

Names & identifiers

Preferred name: 1-Benzyl-1H-benzimidazole
IUPAC: 1-benzylbenzimidazole
English name: 1H-Benzimidazole, 1-(phenylmethyl)-
Molecular formula: C14H12N2
Molecular weight: 208.26

Names & synonyms

4981-92-41-Benzyl-1H-benzimidazoleDTXSID60340297RefChem:1054953DTXCID802913781-benzylbenzimidazole1-Benzylbenzoimidazole1-benzyl-1H-benzo[d]imidazole1-Benzyl-1H-benzoimidazole1-benzyl-1H-1,3-benzodiazole1H-Benzimidazole, 1-(phenylmethyl)-MFCD00458798

Show more names

1-(phenylmethyl)benzimidazolebenzylbenzimidazoleN-benzylbenzimidazole(Phenylmethyl)-1H-benzimidazole1-(Benzyl)benzimidazoleN-Benzyl-1H-benzimidazoleMLS0005265031-Benzyl-1H-benzimidazole #

Database identifiers

CAS: 4981-92-4
PubChem CID: 563347
DTXSID: DTXSID60340297
ChEMBL: CHEMBL347547
ChEBI: CHEBI:109701
Nikkaji: J390.228E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 105 °C · 105 °C
Boiling point: 389.1 · 389.1±35.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 5.02 · 5.02±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338