(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-enenitrile

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-enenitrile

Formula: C22H22N4O2

SMILES: COC1=CC(N2CCCC2)=C(OC)C=C1C=C(/C#N)C1=NC2=CC=CC=C2N1

IUPAC: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-enenitrile

InChI: InChI=1S/C22H22N4O2/c1-27-20-13-19(26-9-5-6-10-26)21(28-2)12-15(20)11-16(14-23)22-24-17-7-3-4-8-18(17)25-22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,24,25)/b16-11+

Composition: C (70.57%), H (5.92%), N (14.96%), O (8.55%)

Molar Mass: 374.444

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	374.174275964
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BWZPRPICTJXEDK-LFIBNONCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.78
Topological Polar Surface Area	74.17
Polarizability	42.17
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22N4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00