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2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid

CAS: 50677-46-8

Formula: C18H16N2O2S

SMILES: CC(SC1=NC(=C(N1)C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O

IUPAC: 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid

InChI: InChI=1/C18H16N2O2S/c1-12(17(21)22)23-18-19-15(13-8-4-2-5-9-13)16(20-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)(H,21,22)

Composition: C (66.65%), H (4.97%), N (8.64%), O (9.86%), S (9.88%)

Molar Mass: 324.4

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 324.093248937
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MFJVYXLNZAGCGM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.75
Topological Polar Surface Area 65.98
Polarizability 38.19
Ring Count 3
Rotatable Bond Count 5

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