NU3

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide

Created:	2013-08-22
Last modified:	2013-10-09

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1 entries where NU3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	16

2D diagram of NU3

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Chemical Component Summary
Name	2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
Formula	C₁₄ H₁₁ N₃ O₂
Molecular Weight	253.256
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N
SMILES	CACTVS	3.385	NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N
InChI	InChI	1.03	InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
InChIKey	InChI	1.03	KOUGHMOSYJCJLE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL131719
PubChem	135546482
ChEMBL	CHEMBL131719

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.