Hoechst 8208
PubChem CID
183902
Structure
Molecular Formula
Synonyms
- Hoechst 8208
- 107882-63-3
- 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]aniline;trihydrochloride
- H-8208
- DTXSID60148316
Molecular Weight
416.8 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2005-08-09
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]aniline;trihydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C18H21N5.3ClH/c1-22-8-10-23(11-9-22)15-6-7-16-17(12-15)21-18(20-16)13-2-4-14(19)5-3-13;;;/h2-7,12H,8-11,19H2,1H3,(H,20,21);3*1H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
PGVHDHFKFINXBN-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)N.Cl.Cl.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H24Cl3N5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
107882-63-3
- 2-(4'-aminophenyl)-5-(4'-methylpiperazin-1-yl)benzimidazole
- H 8208
- H8208
- Hoechst 8208
- Hoechst-8208
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
416.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
415.109729 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
415.109729 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
61.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
387
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
4
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
H8208 (annotation moved to)
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxHoechst 8208https://comptox.epa.gov/dashboard/DTXSID60148316
- WikidataHoechst 8208https://www.wikidata.org/wiki/Q83013828
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
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