tert-butyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methyl-benzimidazole-1-carboxylate CAS Name: 5-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylbenzimidazole-1-carboxylate Traditional Name: 5-(2-imidazolin-2-ylamino)-4-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=CN2C(=O)OC(C)(C)C)NC3=NCCN3

Isomeric SMILES

CC1=C(C=CC2=C1N=CN2C(=O)OC(C)(C)C)NC3=NCCN3

InChI

InChI=1S/C16H21N5O2/c1-10-11(20-14-17-7-8-18-14)5-6-12-13(10)19-9-21(12)15(22)23-16(2,3)4/h5-6,9H,7-8H2,1-4H3,(H2,17,18,20)