2-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid

Systemtic Name: 2-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid Openeye Name: 2-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid CAS Name: 2-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid IUPAC Name: 2-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid Traditional Name: 2-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CNC(=NC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C18H16N4O2/c23-18(24)13-5-2-1-4-12(13)17-21-14-7-6-11(10-15(14)22-17)16-19-8-3-9-20-16/h1-2,4-7,10H,3,8-9H2,(H,19,20)(H,21,22)(H,23,24)