BEN

BENZAMIDINE

Created:	1999-07-08
Last modified:	2011-06-04

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316 entries where BEN is found as a standalone ligand5 entries where BEN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of BEN

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Chemical Component Summary
Name	BENZAMIDINE
Systematic Name (OpenEye OEToolkits)	benzenecarboximidamide
Formula	C₇ H₈ N₂
Molecular Weight	120.152
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(N)c1ccccc1
SMILES	CACTVS	3.341	NC(=N)c1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(c1ccccc1)N
Canonical SMILES	CACTVS	3.341	NC(=N)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(\c1ccccc1)/N
InChI	InChI	1.03	InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChIKey	InChI	1.03	PXXJHWLDUBFPOL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL20936
PubChem	2332
ChEMBL	CHEMBL20936
ChEBI	CHEBI:41033
CCDC/CSD	BUHMEY, KIYKIM, VULTOM, JEKKEQ, OHIRIJ, VEKBOF, SOGGEB, BUHMUO, BUHMOI, FOYMAH, BUHMAU, BUHNUP, HOCGIP, CIXFAQ, BUHNAV, TUWDEV, BUHNID, WOCNUA, AMEWIA, BUHPAX, KIYFEF, KIYFAB, KIYFIJ, BUHNAV01, BUHMIC, FEFKIM01, FEFKIM, DIYJUR, HEVSAC, AGAPUV, TUWDAR, TUWCOE, GADMUT, CEXPAX, TUWCUK, CONYAF10

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.