2-[5-(1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
Basic information
- CAS
7506-09-4- Standard SMILES
c1ccc2[nH]c(CCCCCc3nc4ccccc4[nH]3)nc2c1- InChIKey
AIYITAYBHIJRJY-UHFFFAOYSA-N- Molecular formula
- C19H20N4
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.16879665
Names & identifiers
- Preferred name
- 2-[5-(1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
- IUPAC
- 2-[5-(1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
Names & synonyms
7506-09-42-[5-(1H-benzimidazol-2-yl)pentyl]-1H-benzimidazoleMLS0031715402,2'-(1,5-pentanediyl)bis-1H-benzimidazoleNSC403447CHEMBL2355055SCHEMBL27835271SCHEMBL30701864DTXSID20323263NSC-403447SMR001875423AG-269/34672004
Show more names
2,2'-(Pentane-1,5-diyl)bis(1H-1,3-benzimidazole)
Database identifiers
- CAS
7506-09-4- PubChem CID
- 345709
- DTXSID
DTXSID20323263- ChEMBL
CHEMBL2355055- Nikkaji
- J3.059.884I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
LogP1.56
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Related reactions
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Compound notes
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