2-Chloro-5-(3-Chlorophenyl)-6-{[(R)-(4-Cyanophenyl)(1-Methyl-1H-Imidazol-5-Yl)Methoxy]Methyl}Nicotinonitrile

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Properties Simple | Detailed

Formula C25H17Cl2N5O
IUPAC Name 2-chloro-5-(3-chlorophenyl)-6-[[(r)-(4-cyanophenyl)-(1-methyl-4h-imidazol-1-ium-4-ylium-5-yl)methoxy]methyl]pyridine-3-carbonitrile
Molecular Mass 474.341 g·mol−1
Heat of Formation 480.4 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 539.76 Å 3
Surface Area 441.91 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile
  • 2-chloro-5-(3-chlorophenyl)-6-[[(r)-(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]-3-pyridinecarbonitrile
  • 2-chloro-5-(3-chlorophenyl)-6-[[(r)-(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]nicotinonitrile
  • 2-chloro-5-(3-chlorophenyl)-6-[[(r)-(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]pyridine-3-carbonitrile
  • 2c5
InChIKey JVWHVGIRXILXMU-XMMPIXPASA-N
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Elements H C N O Cl