3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid

Systemtic Name: 3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid Openeye Name: 3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid CAS Name: 3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid IUPAC Name: 3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid Traditional Name: 3-[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=C4)C(=O)O

Isomeric SMILES

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

InChI

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