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4-[5-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-3H-imidazol-4-yl]pyridine hydrochloride

4-[5-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-3H-imidazol-4-yl]pyridine hydrochloride

CAS: 869185-85-3

Formula: C21H17ClFN3OS

SMILES: Cl[H].CS(=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1

IUPAC: 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine hydrochloride

InChI: InChI=1/C21H16FN3OS.ClH/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15;/h2-13H,1H3,(H,24,25);1H

Composition: C (60.94%), H (4.14%), Cl (8.56%), F (4.59%), N (10.15%), O (3.87%), S (7.75%)

Molar Mass: 413.9

Atom Count: 45

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 413.0764892
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WOSGGXINSLMASH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.31
Topological Polar Surface Area 58.64
Polarizability 43.54
Ring Count 4
Rotatable Bond Count 4

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