GTJ

~{N}-(1-propylbenzimidazol-2-yl)propanamide

Created:2018-06-01
Last modified:  2019-04-10

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count10
2D diagram of GTJ

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Chemical Component Summary

Name~{N}-(1-propylbenzimidazol-2-yl)propanamide
Systematic Name (OpenEye OEToolkits)~{N}-(1-propylbenzimidazol-2-yl)propanamide
FormulaC13 H17 N3 O
Molecular Weight231.294
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCn1c(NC(=O)CC)nc2ccccc12
SMILESOpenEye OEToolkits2.0.6CCCn1c2ccccc2nc1NC(=O)CC
Canonical SMILESCACTVS3.385 CCCn1c(NC(=O)CC)nc2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.6 CCCn1c2ccccc2nc1NC(=O)CC
InChIInChI1.03 InChI=1S/C13H17N3O/c1-3-9-16-11-8-6-5-7-10(11)14-13(16)15-12(17)4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17)
InChIKeyInChI1.03 KFQGOQCGYCFOQG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 780944