1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-
Basic information
- CAS
72766-27-9- Standard SMILES
COc1ccc(CCNc2c([N+](=O)[O-])cc3[nH]c(C)nc3c2[N+](=O)[O-])cc1OC- InChIKey
OHYQKESBPDBHKC-UHFFFAOYSA-N- Molecular formula
- C18H19N5O6
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.13353334
Names & identifiers
- Preferred name
- 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
Names & synonyms
BRN 094753472766-27-91H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-DTXSID30223088N-(2-(3,4-Dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-1H-benzimidazol-5-amineNSC 309841RefChem:237457DTXCID30145579NSC309841NSC-309841DS-011878N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-1,3-benzimidazol-5-amine
Show more names
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzoimidazol-5-amine
Database identifiers
- CAS
72766-27-9- PubChem CID
- 3936854
- DTXSID
DTXSID30223088
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 584
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Compound notes
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