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Basic information
- CAS
4746-56-9- Standard SMILES
c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1- InChIKey
NZFAWSULAKQAPQ-UHFFFAOYSA-N- Molecular formula
- C18H18N4
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15314659
Names & identifiers
- Preferred name
- 1,4-Bis(2-benzimidazolyl)butane
- IUPAC
- 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
- English name
- 2-[4-(1H-benzoimidazol-2-yl)butyl]-1H-benzoimidazole
- Molecular formula
- C18H18N4
- Molecular weight
- 290.36
Names & synonyms
4746-56-91,4-Bis(2-benzimidazolyl)butane1,4-Bis[2-benzimidazolyl]butaneDTXSID10276779RefChem:73117DTXCID20228007NZFAWSULAKQAPQ-UHFFFAOYSA-N2-[4-(1H-Benzimidazol-2-yl)butyl]-1H-benzimidazole1,4-bis(1H-benzo[d]imidazol-2-yl)butane2,2'-butane-1,4-diylbis(1H-benzimidazole)2-[4-(1H-1,3-BENZODIAZOL-2-YL)BUTYL]-1H-1,3-BENZODIAZOLE2-[4-(1H-benzoimidazol-2-yl)butyl]-1H-benzoimidazole
Show more names
2,2'-(1,4-butanediyl)bis(1H-benzimidazole)1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis-
2-(4-benzimidazol-2-ylbutyl)benzimidazoleMLS001195175SCHEMBL7006523CHEMBL1555055HMS1607L11HMS2867A18ALBB-037246MFCD00628963
Database identifiers
- CAS
4746-56-9- PubChem CID
- 200005
- DTXSID
DTXSID10276779- ChEMBL
CHEMBL1555055- Nikkaji
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 259 · 259-260 °C (decomp)
- Boiling point
- 631.4 · 631.4±38.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 11 · 11+-.0.10(Predicted)
Chemistry & industry
Suppliers2 total
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
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Compound notes
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