Basic information
- CAS
73712-01-3- Standard SMILES
CC(N)(C(=O)O)c1nc2cc(N(CCCl)CCCl)ccc2n1-c1ccccc1- InChIKey
FACRTCMVSZCHCJ-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N4O2
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.1119813
Names & identifiers
- Preferred name
- Alanine, 2-(5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolyl)-
- IUPAC
- 2-amino-2-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid
Names & synonyms
73712-01-32-(5-(Bis-(2-chloroethyl)amino)-1-phenyl-2-benzimidazolyl)alanineALANINE, 2-(5-(BIS(2-CHLOROETHYL)AMINO)-1-PHENYL-2-BENZIMIDAZOLYL)-beta-(1-Phenyl-5-bis(beta'-chloraethyl)-amino-benzimidazolyl-(2))-DL-alanin [German]beta-(1-Phenyl-5-bis(beta'-chloraethyl)-amino-benzimidazolyl-(2))-DL-alaninRefChem:317946DTXSID209945732-{5-[Bis(2-chloroethyl)amino]-1-phenyl-1H-1,3-benzimidazol-2-yl}alanine2-{5-[Bis(2-chloroethyl)amino]-1-phenyl-1H-benzimidazol-2-yl}alanine
Database identifiers
- CAS
73712-01-3- PubChem CID
- 52252
- DTXSID
DTXSID20994573
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…