2-[2-(3,4-dimethoxyphenyl)-1H-1,3-benzodiazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazole

2-[2-(3,4-dimethoxyphenyl)-1H-1,3-benzodiazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazole

CAS: 188860-26-6

Formula: C27H28N6O2

SMILES: COC1=CC=C(C=C1OC)C1=NC2=CC(=CC=C2N1)C1=NC2=CC(=CC=C2N1)N1CCN(C)CC1

IUPAC: 2-[2-(3,4-dimethoxyphenyl)-1H-1,3-benzodiazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazole

InChI: InChI=1S/C27H28N6O2/c1-32-10-12-33(13-11-32)19-6-8-21-23(16-19)31-26(29-21)17-4-7-20-22(14-17)30-27(28-20)18-5-9-24(34-2)25(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H,28,30)(H,29,31)

Composition: C (69.21%), H (6.02%), N (17.94%), O (6.83%)

Molar Mass: 468.561

Atom Count: 63

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	468.227374166
Formal Charge	0
FSP3	0.26
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	BMRRDFCQNOZNNR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	157.49
Topological Polar Surface Area	82.3
Polarizability	55.75
Ring Count	6
Rotatable Bond Count	5

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