4RP

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

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

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1 entries where 4RP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	16

2D diagram of 4RP

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Chemical Component Summary
Name	N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
Systematic Name (OpenEye OEToolkits)	N-[[3,5-bis(chloranyl)phenyl]methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
Formula	C₁₆ H₁₇ Cl₂ N₅
Molecular Weight	350.246
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(Cl)cc(CNCCCNc1nc2c(n1)nccc2)cc3Cl
SMILES	CACTVS	3.385	Clc1cc(Cl)cc(CNCCCNc2[nH]c3cccnc3n2)c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1cc(Cl)cc(CNCCCNc2[nH]c3cccnc3n2)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl
InChI	InChI	1.03	InChI=1S/C16H17Cl2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)
InChIKey	InChI	1.03	JOBYCWUVGFAKEK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118988351

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