Basic information
- CAS
42388-69-2- Standard SMILES
Cc1cc(Cl)nc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)n1- InChIKey
RIBTXFBUBQVDGI-UHFFFAOYSA-N- Molecular formula
- C12H8Cl3N5
- Average molar mass
- 328.6 g/mol
- Monoisotopic mass
- 326.984528
Names & identifiers
- Preferred name
- 5,6-Dichloro-n-(4-chloro-6-methylpyrimidin-2-yl)-1h-benzimidazol-2-amine
- IUPAC
- 5,6-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine
Names & synonyms
42388-69-25,6-dichloro-n-(4-chloro-6-methylpyrimidin-2-yl)-1h-benzimidazol-2-amineNSC142116DTXSID40962451RIBTXFBUBQVDGI-UHFFFAOYSA-NNSC-142116DS-0088735,6-Dichloro-2-[[4-chloro-6-methyl-2-pyrimidinyl]amino]benzimidazole5,6-Dichloro-N-(4-chloro-6-methyl-2-pyrimidinyl)-1H-benzimidazol-2-amine #5,6-Dichloro-n-(4-chloro-6-methyl-pyrimidin-2-yl)-1h-benzoimidazol-2-amine5,6-Dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-1,3-benzimidazol-2-amine
Database identifiers
- CAS
42388-69-2- PubChem CID
- 285281
- DTXSID
DTXSID40962451
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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