Basic information
- Standard SMILES
CCCCCCCCCCC(C)OC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C- InChIKey
WNTPWLOBUTZCDW-UHFFFAOYSA-N- Molecular formula
- C28H45Cl2N3O2
- Average molar mass
- 526.6 g/mol
Names & identifiers
- Preferred name
- 4-{5-[Bis-(chloroethyl)-amino]-1-methyl-1H-benzimidazol-2-yl}butyric acid 2-dodecyl ester
- IUPAC
- dodecan-2-yl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
Names & synonyms
SCHEMBL15690551WNTPWLOBUTZCDW-UHFFFAOYSA-N4-{5-[Bis-(chloroethyl)-amino]-1-methyl-1H-benzimidazol-2-yl}butyric acid 2-dodecyl ester
Database identifiers
- PubChem CID
- 90135684
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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