M82

4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide

Created:	2019-10-04
Last modified:	2019-11-06

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1 entries where M82 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	16

2D diagram of M82

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Chemical Component Summary
Name	4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
Systematic Name (OpenEye OEToolkits)	4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
Formula	C₂₀ H₂₁ I N₄ O
Molecular Weight	460.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Ic1ccc(cc1)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I
Canonical SMILES	CACTVS	3.385	Ic1ccc(cc1)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I
InChI	InChI	1.03	InChI=1S/C20H21IN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)
InChIKey	InChI	1.03	BNHCQPUZQJMKRK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139592541

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