Molecular properties
- Formula
- C16H21Cl2N3O2
- Molar mass
- 358.27 g·mol−1
- Exact mass
- 357.1011 Da
- 7
- PubChem CID
- 65628
Molecule record
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
C16H21Cl2N3O2
358.27 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Carboxylic acid
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 16506-27-7
- 16506-27-7 (free base)
- 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-
- 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid
- 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
- 5-(Bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolebutyric acid
- 9266D9P3PQ
- BDBM173621
Show all 24 synonyms
- Bendamustina
- Bendamustine
- Bendamustine [INN]
- Bendamustinum
- Bendamustinum [Latin]
- DB06769
- DTXCID0026888
- DTXSID2046888
- L01AA09
- MFCD00866481
- NCGC00181170-01
- NIOSH/DD6304600
- RefChem:54437
- SDX-105
- Treanda (TN)
- omega-(1-Methyl-5-bis(beta-chloroethyl)aminobenzimidazole-(2)-butyric acid
Structure identifiers
- Canonical SMILES
- Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
- Isomeric SMILES
- CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O
- InChI
- InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
- InChIKey
- YTKUWDBFDASYHO-UHFFFAOYSA-N
- PubChem CID
- 65628
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.