Compound Summary
Compound Information
Ro 90-7501
Compound Name: | Ro 90-7501 |
Compound CID: | 824226 |
Synonyms: | Ro 90-7501 |
Iupac Name: | 2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine |
InChI: | InChI=1S/C20H16N6/c21-13-4-1-11(2-5-13)19-23-15-7-3-12(9-17(15)25-19)20-24-16-8-6-14(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26) |
InChIKey: | PAGZCEHLFCJSPV-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N |
Isomeric Smiles: | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N |
Molecular Weight: | 340.4 |
Molecular Formula: | C20H16N6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Ro 90-7501
Molecular Weight: | 340.4 |
Molecular Formula: | C20H16N6 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 26 |
Complexity: | 493 |
Synonyms
Ro 90-7501
Experimental Data
Ro 90-7501
Experimental Data Visualization
Ro 90-7501
Statistics Data
Ro 90-7501
Statistics Data Visualization
Ro 90-7501
