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Home > Encyclopedia > 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid

2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid

2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid structure

2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid 

structure
  • CAS No:

    32021-40-2

  • Formula:

    C20H22Cl2N4O2

  • Chemical Name:

    2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid

  • Synonyms:

    IMET 3146;IMET 3146, (+-)-isomer;IMET 3146, hydrochloride, (+-)-isomer;ZIMET 3164;Zimet-3164;IMET 3164;Imet 3146;BRN 4019059;ZIMET 31/64;beta-(1-Phenyl-5-bis-(beta-chloroethyl)amino-2-benzimidazolyl)-DL-alanine;(+-)-alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-1H-benzimidazole-2-propanoic acid;(+-)-alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolepropionic acid;2-Benzimidazolepropionic acid, alpha-amino-5-(bis(2-chloroethyl)amino)-1-phenyl-, (+-)-;31539-54-5;5-25-17-00018 (Beilstein Handbook Reference);DTXSID80953520;32021-40-2;3-{5-[bis(2-chloroethyl)amino]-1-phenyl-1H-benzimidazol-2-yl}alanine

2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid Basic Attributes

421.3 g/mol

420.1119813 g/mol

Characteristics

84.4 Ų

Drug Information

IMET 3146

Computed Properties

Molecular Weight:421.3
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:420.1119813
Monoisotopic Mass:420.1119813
Topological Polar Surface Area:84.4
Heavy Atom Count:28
Complexity:501
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid

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