2,5,6-Trimethylbenzimidazole

HCID 76891

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Basic information

CAS: 3363-56-2
Standard SMILES: Cc1nc2cc(C)c(C)cc2[nH]1
InChIKey: AFNRMRFWCAJQGP-UHFFFAOYSA-N
Molecular formula: C10H12N2
Average molar mass: 160.22 g/mol
Monoisotopic mass: 160.10004838

Names & identifiers

Preferred name: 2,5,6-Trimethylbenzimidazole
IUPAC: 2,5,6-trimethyl-1H-benzimidazole
English name: 2,5,6-Trimethylbenzimidazole
Molecular formula: C10H12N2
Molecular weight: 160.22

Names & synonyms

2,5,6-Trimethylbenzimidazole3363-56-22,5,6-Trimethyl-1H-benzimidazoleYOI3YUF0P3NSC-401569DTXSID30187313RefChem:1060000DTXCID40109804222-130-92,5,6-trimethyl-1H-benzo[d]imidazole1H-Benzimidazole, 2,5,6-trimethyl-2,5,6-trimethyl-1H-1,3-benzodiazole

Show more names

2,5,6-Trimethylbenzimidazole 98%2,5,6-trimethyl-3aH-benzimidazole1H-Benzimidazole,2,5,6-trimethyl-(9CI)

MFCD00005600CHEMBL156134UNII-YOI3YUF0P31H-Benzimidazole,2,5,6-trimethyl-EINECS 222-130-9NSC4015692,5,6-trimethyl-1H-1,3-benzimidazoleF3243-0590

Database identifiers

CAS: 3363-56-2
PubChem CID: 76891
DTXSID: DTXSID30187313
ChEMBL: CHEMBL156134
UNII: YOI3YUF0P3
EC Number: 222-130-9
Nikkaji: J205.445K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 239 · 239-240 °C(lit.)
CAS DataBase Reference: 3363 · 3363-56-2(CAS DataBase Reference)
FDA UNII: 3 YUF0P3 · YOI3YUF0P3
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
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36-24/25
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090