4RN

(2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine

Created: 2015-05-15
Last modified:  2016-05-04

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count45
Aromatic Bond Count16
2D diagram of 4RN

Chemical Component Summary

Name(2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine
Systematic Name (OpenEye OEToolkits)(2S)-N-[[3,5-bis(chloranyl)phenyl]methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-propane-1,3-diamine
FormulaC17 H19 Cl2 N5
Molecular Weight364.272
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(CNc2nc1c(nccc1)n2)(CNCc3cc(cc(c3)Cl)Cl)C
SMILESCACTVS3.385C[CH](CNCc1cc(Cl)cc(Cl)c1)CNc2[nH]c3cccnc3n2
SMILESOpenEye OEToolkits1.9.2CC(CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2
Canonical SMILESCACTVS3.385 C[C@@H](CNCc1cc(Cl)cc(Cl)c1)CNc2[nH]c3cccnc3n2
Canonical SMILESOpenEye OEToolkits1.9.2 C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2
InChIInChI1.03 InChI=1S/C17H19Cl2N5/c1-11(8-20-10-12-5-13(18)7-14(19)6-12)9-22-17-23-15-3-2-4-21-16(15)24-17/h2-7,11,20H,8-10H2,1H3,(H2,21,22,23,24)/t11-/m0/s1
InChIKeyInChI1.03 WHJDPLYTLYNDOF-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 118988354