0JB

N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide

Created:	2012-01-20
Last modified:	2012-01-20

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1 entries where 0JB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	21

2D diagram of 0JB

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Chemical Component Summary
Name	N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-3H-benzimidazole-4-carboxamide
Formula	C₁₅ H₁₁ N₇ O
Molecular Weight	305.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2cccc1ncnc12)Nc3cccc(c3)c4nnnn4
SMILES	CACTVS	3.370	O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc4nc[nH]c34
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4
Canonical SMILES	CACTVS	3.370	O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc4nc[nH]c34
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4
InChI	InChI	1.03	InChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22)
InChIKey	InChI	1.03	OUXPKPPPOPWHCW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56851705
ChEMBL	CHEMBL2031556

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.