Basic information
- CAS
21527-78-6- Standard SMILES
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21- InChIKey
XKWQNWOHLZAFPS-UHFFFAOYSA-N- Molecular formula
- C25H27Cl4N4+
- Average molar mass
- 525.3 g/mol
- Monoisotopic mass
- 523.098983
Overview
See other relationships...
Names & identifiers
- Preferred name
- Xkwqnwohlzafps-uhfffaoysa-
- IUPAC
- 5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole
Names & synonyms
SCHEMBL2408178SCHEMBL2408181XKWQNWOHLZAFPS-UHFFFAOYSA-DTXSID209441345,6-Dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-1,3-benzimidazol-3-ium5,6-Dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-benzimidazol-3-iumInChI=1/C25H27Cl4N4/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4/h9-15H,5-8H2,1-4H3/q+1
Database identifiers
- CAS
21527-78-6- PubChem CID
- 3801
- DTXSID
DTXSID20944134
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 625
Related reactions
0 records
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Compound notes
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