2-tert-butyl-1H-benzimidazol-5-amine
Basic information
- CAS
177843-66-2- Standard SMILES
CC(C)(C)c1nc2ccc(N)cc2[nH]1- InChIKey
SLZVZHKZDFTTJL-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659748
Names & identifiers
- Preferred name
- 2-tert-butyl-1H-benzimidazol-5-amine
- IUPAC
- 2-tert-butyl-3H-benzimidazol-5-amine
- English name
- 1H-Benzimidazol-5-amine,2-(1,1-dimethylethyl)-(9CI)
- Molecular formula
- C11H15N3
- Molecular weight
- 189.26
Names & synonyms
177843-66-22-tert-butyl-1H-benzimidazol-5-amine2-(tert-Butyl)-1H-benzo[d]imidazol-5-amine2-tert-Butyl-1H-benzoimidazol-5-ylamine2-tert-butyl-3H-benzimidazol-5-amine2-tert-butyl-1H-1,3-benzodiazol-5-amineMFCD052632401H-Benzimidazol-5-amine,2-(1,1-dimethylethyl)-(9CI)2-(tert-butyl)-1H-benzo[d]imidazol-6-amine2-(tert-butyl)benzimidazole-5-ylamineSCHEMBL521629SCHEMBL7028984
Show more names
1H-Benzimidazol-6-amine, 2-(1,1-dimethylethyl)-
DTXSID303665852-tert-butyl-5-aminobenzimidazoleSLZVZHKZDFTTJL-UHFFFAOYSA-NHMS1702K21BBL030355SBB010810STL243485AKOS000116818
Database identifiers
- CAS
177843-66-2- PubChem CID
- 2113448
- DTXSID
DTXSID30366585
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 417.6 · 417.6±18.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- pka
- 12.63 · 12.63±0.10(Predicted)
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Related reactions
6 records
Compound notes
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