1-((4-((1-Imidazolyl)methyl)cyclohexyl)methyl)imidazole succinate
Basic information
- CAS
113863-88-0- Standard SMILES
O=C(O)CCC(=O)O.c1cn(CC2CCC(Cn3ccnc3)CC2)cn1- InChIKey
QAEBZMWFFBUNPW-UHFFFAOYSA-N- Molecular formula
- C18H26N4O4
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.19540532
Names & identifiers
- Preferred name
- 1-((4-((1-Imidazolyl)methyl)cyclohexyl)methyl)imidazole succinate
- IUPAC
- butanedioic acid;1-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
Names & synonyms
1-((4-((1-Imidazolyl)methyl)cyclohexyl)methyl)imidazole succinateRefChem:907113113863-88-0Cgs 14796CCgs-14796CSCHEMBL1648750SCHEMBL1648753DTXSID80921224Butanedioic acid--1,1'-[cyclohexane-1,4-diylbis(methylene)]di(1H-imidazole) (1/1)
Database identifiers
- CAS
113863-88-0- PubChem CID
- 196683
- DTXSID
DTXSID80921224
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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