9F9

N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide

Created:	2014-08-30
Last modified:	2014-09-17

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1 entries where 9F9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	12

2D diagram of 9F9

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Chemical Component Summary
Name	N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide
Systematic Name (OpenEye OEToolkits)	N-(1,3-dimethyl-2-oxidanylidene-6-piperidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
Formula	C₂₂ H₂₆ N₄ O₃
Molecular Weight	394.467
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccccc1OC)Nc2cc4c(cc2N3CCCCC3)N(C(=O)N4C)C
SMILES	CACTVS	3.385	COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCCC4
SMILES	OpenEye OEToolkits	1.7.6	CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC
Canonical SMILES	CACTVS	3.385	COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCCC4
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC
InChI	InChI	1.03	InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
InChIKey	InChI	1.03	LTUGYAOMCKNTGG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1522313
PubChem	15990224
ChEMBL	CHEMBL1522313

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.