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4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl His Dev.
SpectraBase Compound ID GIk5C22k93L
InChI InChI=1S/C23H21I2N5O3/c1-11-4-17-18(5-12(11)2)29-21(28-17)20-15(24)6-13(7-16(20)25)22(31)30-19(23(32)33-3)8-14-9-26-10-27-14/h4-7,9-10,19H,8H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)
InChIKey WBHDUINWRBPWIT-UHFFFAOYSA-N
Mol Weight 669.26 g/mol
Molecular Formula C23H21I2N5O3
Exact Mass 668.97338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3byOUyWKQQN
Name 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl His Dev.
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Formula C23H21I2N5O3
InChI InChI=1S/C23H21I2N5O3/c1-11-4-17-18(5-12(11)2)29-21(28-17)20-15(24)6-13(7-16(20)25)22(31)30-19(23(32)33-3)8-14-9-26-10-27-14/h4-7,9-10,19H,8H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)
InChIKey WBHDUINWRBPWIT-UHFFFAOYSA-N
Molecular Weight 669.262 g/mol
SMILES [nH]1c2cc(c(cc2nc1-c1c(cc(C(NC(Cc2c[nH]cn2)C(=O)OC)=O)cc1I)I)C)C
SPLASH splash10-0udi-5400295000-8a1c17a29b73a44c159f
Source of Spectrum EMC-42-785-6a
Synonyms Methyl 2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzamido)-3-(1H-imidazol-4-yl)propanoate
Wiley ID 1735565