2,5-Dimethyl-1-propyl-1H-benzimidazol-7-amine
Basic information
- CAS
53369-82-7- Standard SMILES
CCCn1c(C)nc2cc(C)cc(N)c21- InChIKey
WITWSHJUZWLHNE-UHFFFAOYSA-N- Molecular formula
- C12H17N3
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.14224756
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-propyl-1H-benzimidazol-7-amine
- IUPAC
- 2,6-dimethyl-3-propylbenzimidazol-4-amine
Names & synonyms
53369-82-7NSC3521082,5-Dimethyl-1-propyl-1H-benzimidazol-7-amineDTXSID30319950NSC-3521082,5-Dimethyl-1-propyl-1H-1,3-benzimidazol-7-amine
Database identifiers
- CAS
53369-82-7- PubChem CID
- 336801
- DTXSID
DTXSID30319950
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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