03M

(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione

Created: 2011-10-04
Last modified:  2011-10-04

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count16
2D diagram of 03M
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Chemical Component Summary

Name(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)(5Z)-3-[[3,4-bis(fluoranyl)phenyl]methyl]-5-[(6-chloranyl-7-methyl-1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
FormulaC20 H14 Cl F2 N3 O2
Molecular Weight401.794
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc1ccc2c(c1C)ncc2/C=C3/C(=O)N(C(=O)N3)Cc4cc(F)c(F)cc4
SMILESCACTVS3.370Cc1c(Cl)ccc2c(c[nH]c12)C=C3NC(=O)N(Cc4ccc(F)c(F)c4)C3=O
SMILESOpenEye OEToolkits1.7.2Cc1c(ccc2c1[nH]cc2C=C3C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl
Canonical SMILESCACTVS3.370 Cc1c(Cl)ccc2c(c[nH]c12)\C=C3/NC(=O)N(Cc4ccc(F)c(F)c4)C3=O
Canonical SMILESOpenEye OEToolkits1.7.2 Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl
InChIInChI1.03 InChI=1S/C20H14ClF2N3O2/c1-10-14(21)4-3-13-12(8-24-18(10)13)7-17-19(27)26(20(28)25-17)9-11-2-5-15(22)16(23)6-11/h2-8,24H,9H2,1H3,(H,25,28)/b17-7-
InChIKeyInChI1.03 OEXMEVPQEPHTAQ-IDUWFGFVSA-N

Related Resource References

Resource NameReference
PubChem 72200647