4-[[5-(2,2-dimethylpropanoyl)-1-methyl-benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[5-(2,2-dimethylpropanoyl)-1-methyl-benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[5-(2,2-dimethylpropanoyl)-1-methyl-benzimidazol-2-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[5-(2,2-dimethyl-1-oxopropyl)-1-methyl-2-benzimidazolyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[(1-methyl-5-pivaloyl-benzimidazol-2-yl)methyl]benzamidine hydrochloride Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CC(C)(C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C21H24N4O.ClH/c1-21(2,3)19(26)15-9-10-17-16(12-15)24-18(25(17)4)11-13-5-7-14(8-6-13)20(22)23;/h5-10,12H,11H2,1-4H3,(H3,22,23);1H