5-methoxy-2-(pyrrolidin-1-yl)-1H-1,3-benzodiazole

5-methoxy-2-(pyrrolidin-1-yl)-1H-1,3-benzodiazole

Formula: C12H15N3O

SMILES: COC1=CC=C2NC(=NC2=C1)N1CCCC1

IUPAC: 5-methoxy-2-(pyrrolidin-1-yl)-1H-1,3-benzodiazole

InChI: InChI=1S/C12H15N3O/c1-16-9-4-5-10-11(8-9)14-12(13-10)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)

Composition: C (66.34%), H (6.96%), N (19.34%), O (7.36%)

Molar Mass: 217.272

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.121512115
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BGWBDJYFNRCMMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.87
Topological Polar Surface Area	41.15
Polarizability	24.94
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H15N3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00