Molecular Identity
Bendamustine
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
PubChem CID: 65628
Bendamustine is a member of benzimidazoles.
2D Structure
Properties
C16H21Cl2N3O2
Molecular Formula
358.30
Molecular Weight
g/mol
357.1011
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
58.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
380
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)OIsomeric SMILES
SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)OSynonyms(20)
Bendamustine16506-27-7Bendamustina4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acidBendamustinumDTXSID20468889266D9P3PQ1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-DTXCID00268885-(Bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolebutyric acid4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acidomega-(1-Methyl-5-bis(beta-chloroethyl)aminobenzimidazole-(2)-butyric acid1H-benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-4-(5-(bis(2-chloroethyl)amino)-1-methylbenzimidazol-2-yl)butanoic acid4-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-1,3-benzodiazol-2-yl)butanoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bendamustine
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