1-Methyl-2-phenylbenzimidazole

HCID 75807

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Basic information

CAS: 2622-63-1
Standard SMILES: Cn1c(-c2ccccc2)nc2ccccc21
InChIKey: POSRBSJJCMKQNU-UHFFFAOYSA-N
Molecular formula: C14H12N2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.10004838

Names & identifiers

Preferred name: 1-Methyl-2-phenylbenzimidazole
IUPAC: 1-methyl-2-phenylbenzimidazole
English name: 1-methyl-2-phenylbenzimidazole
Molecular formula: C14H12N2
Molecular weight: 208.26

Names & synonyms

1-Methyl-2-phenylbenzimidazole2622-63-11H-Benzimidazole, 1-methyl-2-phenyl-1-Methyl-2-phenyl-1H-benzimidazoleEINECS 220-073-4DTXSID80180859RefChem:434073DTXCID70103350220-073-41-methyl-2-phenyl-1H-benzo[d]imidazole1-Methyl-2-phenyl-1H-benzoimidazoleMFCD00005764

Show more names

1-methyl-2-phenyl-1H-1,3-benzodiazole1H-Benzimidazole,1-methyl-2-phenyl-2-Phenyl-1-methyl-1H-benzimidazoleMaybridge3_000925FA5J4RSN5SSCHEMBL517706SCHEMBL714362SCHEMBL714363

Database identifiers

CAS: 2622-63-1
PubChem CID: 75807
DTXSID: DTXSID80180859
ChEMBL: CHEMBL2046760
UNII: FA5J4RSN5S
EC Number: 220-073-4
Nikkaji: J192.130D

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 380.1 · 380.1±25.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
pka: 5.14 · 5.14±0.10(Predicted)
FDA UNII: 5 J4RSN5S · FA5J4RSN5S
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 318 · H318-H300
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H318-H300
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310