MEX

1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one

Created:2010-09-20
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12
2D diagram of MEX

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Chemical Component Summary

Name1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
Systematic Name (OpenEye OEToolkits)3-(2,4-dihydroxyphenyl)-1H-benzimidazol-2-one
FormulaC13 H10 N2 O3
Molecular Weight242.23
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2Nc1ccccc1N2c3ccc(O)cc3O
SMILESCACTVS3.370Oc1ccc(N2C(=O)Nc3ccccc23)c(O)c1
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O
Canonical SMILESCACTVS3.370 Oc1ccc(N2C(=O)Nc3ccccc23)c(O)c1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O
InChIInChI1.03 InChI=1S/C13H10N2O3/c16-8-5-6-11(12(17)7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
InChIKeyInChI1.03 VCZFDVVMKKLXAN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1802335
PubChem 16727212
ChEMBL CHEMBL1802335