AX7

1H-benzimidazol-2-amine

Created:	2007-12-20
Last modified:	2011-06-04

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25 entries where AX7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	10

2D diagram of AX7

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Chemical Component Summary
Name	1H-benzimidazol-2-amine
Systematic Name (OpenEye OEToolkits)	1H-benzimidazol-2-amine
Formula	C₇ H₇ N₃
Molecular Weight	133.151
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1ccccc1nc2N
SMILES	CACTVS	3.341	Nc1[nH]c2ccccc2n1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)[nH]c(n2)N
Canonical SMILES	CACTVS	3.341	Nc1[nH]c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)[nH]c(n2)N
InChI	InChI	1.03	InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChIKey	InChI	1.03	JWYUFVNJZUSCSM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13624
ChEMBL	CHEMBL305513
ChEBI	CHEBI:27822
CCDC/CSD	DIQLEU, OHIJEX, EWUYOL, HUZSEA

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.