2-(3-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazole

2-(3-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazole

CAS: 865657-71-2

Formula: C19H22N4O

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

IUPAC: 2-(3-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazole

InChI: InChI=1S/C19H22N4O/c1-22-8-10-23(11-9-22)15-6-7-17-18(13-15)21-19(20-17)14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)

Composition: C (70.78%), H (6.88%), N (17.38%), O (4.96%)

Molar Mass: 322.412

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	322.179361344
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HMMUUODVUCKTAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.01
Topological Polar Surface Area	44.39
Polarizability	38.62
Ring Count	4
Rotatable Bond Count	3

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