N1-methyl-4-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)benzene-1,2-diamine

N1-methyl-4-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)benzene-1,2-diamine

CAS: 927880-89-5

Formula: C16H14F3N5O

SMILES: CNC1=C(N)C=C(OC2=CC(=NC=C2)C2=NC(=CN2)C(F)(F)F)C=C1

IUPAC: N1-methyl-4-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)benzene-1,2-diamine

InChI: InChI=1S/C16H14F3N5O/c1-21-12-3-2-9(6-11(12)20)25-10-4-5-22-13(7-10)15-23-8-14(24-15)16(17,18)19/h2-8,21H,20H2,1H3,(H,23,24)

Composition: C (55.01%), H (4.04%), F (16.32%), N (20.05%), O (4.58%)

Molar Mass: 349.317

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	349.11504458
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MADZKMFFVWYSOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.32
Topological Polar Surface Area	88.85
Polarizability	32.05
Ring Count	3
Rotatable Bond Count	5

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95%	<5 Days	927880-89-5		$1,540.00-$2,310.00$1,540.00$1,800.00$2,310.00