[Synonyms]
[Structure]
![2-nitro-6-[(1-phenylbenzimidazol-5-yl)iminomethyl]phenol,Canonical SM](/file/upload/dataimg/136/1355159.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-nitro-6-[(1-phenylbenzimidazol-5-yl)iminomethyl]phenol
Canonical SMILES: C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O
InChI: InChI=1/C20H14N4O3/c25-20-14(5-4-8-19(20)24(26)27)12-21-15-9-10-18-17
(11-15)22-13-23(18)16-6-2-1-3-7-16/h1-13,25H/b21-12+
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 358.35016 [g/mol] |
| Molecular Formula | C20H14N4O3 |
| XLogP | 4.7 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 3 |
| Tautomer Count | 5 |
| Exact Mass | 358.10659 |
| MonoIsotopic Mass | 358.10659 |
| Topological Polar Surface Area | 93.6 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 546 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2-nitro-6-[(1-phenylbenzimidazol-5-yl)iminomethyl]phenol
Canonical SMILES: C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O
InChI: InChI=1/C20H14N4O3/c25-20-14(5-4-8-19(20)24(26)27)12-21-15-9-10-18-17
(11-15)22-13-23(18)16-6-2-1-3-7-16/h1-13,25H/b21-12+
