N91

N-(1-METHYLBENZIMIDAZOL-5-YL)ACETAMIDE

Created:	2016-01-06
Last modified:	2016-07-20

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1 entries where N91 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

2D diagram of N91

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Chemical Component Summary
Name	N-(1-METHYLBENZIMIDAZOL-5-YL)ACETAMIDE
Systematic Name (OpenEye OEToolkits)	N-(1-methylbenzimidazol-5-yl)ethanamide
Formula	C₁₀ H₁₁ N₃ O
Molecular Weight	189.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cnc2cc(NC(C)=O)ccc12
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1ccc2c(c1)ncn2C
Canonical SMILES	CACTVS	3.385	Cn1cnc2cc(NC(C)=O)ccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1ccc2c(c1)ncn2C
InChI	InChI	1.03	InChI=1S/C10H11N3O/c1-7(14)12-8-3-4-10-9(5-8)11-6-13(10)2/h3-6H,1-2H3,(H,12,14)
InChIKey	InChI	1.03	KAWIUNXJBSAKNK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	965364
ChEMBL	CHEMBL1300388

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