HLM

N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide

Created:	2018-07-11
Last modified:	2019-03-13

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1 entries where HLM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	12

2D diagram of HLM

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Chemical Component Summary
Name	N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{S})-1-(3-chlorophenyl)ethyl]-3-[(4,5-dihydro-1~{H}-imidazol-2-ylamino)methyl]benzamide
Formula	C₁₉ H₂₁ Cl N₄ O
Molecular Weight	356.849
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(cc(C(=O)NC(C)c1cccc(c1)Cl)ccc2)CNC3=NCCN3
SMILES	CACTVS	3.385	C[CH](NC(=O)c1cccc(CNC2=NCCN2)c1)c3cccc(Cl)c3
SMILES	OpenEye OEToolkits	2.0.6	CC(c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3
Canonical SMILES	CACTVS	3.385	C[C@H](NC(=O)c1cccc(CNC2=NCCN2)c1)c3cccc(Cl)c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3
InChI	InChI	1.03	InChI=1S/C19H21ClN4O/c1-13(15-5-3-7-17(20)11-15)24-18(25)16-6-2-4-14(10-16)12-23-19-21-8-9-22-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,24,25)(H2,21,22,23)/t13-/m0/s1
InChIKey	InChI	1.03	ZHGJIKXLESXIHK-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	138753247

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