Basic information
- CAS
405173-98-0- Standard SMILES
CC(C)(C)OC(=O)n1c(CCCl)nc2ccccc21- InChIKey
FXCTWDUBVBSVQC-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2
- Average molar mass
- 280.75 g/mol
- Monoisotopic mass
- 280.0978555
Names & identifiers
- Preferred name
- N-(tert-butoxycarbonyl)-2-(2-Chloroethyl)-benzimidazole
- IUPAC
- tert-butyl 2-(2-chloroethyl)benzimidazole-1-carboxylate
Names & synonyms
SCHEMBL4065436N-(tert-butoxycarbonyl)-2-(2-Chloroethyl)-benzimidazoleFXCTWDUBVBSVQC-UHFFFAOYSA-NDTXSID401165328405173-98-0tert-Butyl 2-(2-chloroethyl)-1H-benzimidazole-1-carboxylate1,1-Dimethylethyl 2-(2-chloroethyl)-1H-benzimidazole-1-carboxylate
Database identifiers
- CAS
405173-98-0- PubChem CID
- 22018796
- DTXSID
DTXSID401165328
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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