A1AXM

(2M)-2-(1H-imidazol-1-yl)benzonitrile

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AXM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of A1AXM

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Chemical Component Summary
Name	(2M)-2-(1H-imidazol-1-yl)benzonitrile
Systematic Name (OpenEye OEToolkits)	2-imidazol-1-ylbenzenecarbonitrile
Formula	C₁₀ H₇ N₃
Molecular Weight	169.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccccc1n1ccnc1
SMILES	CACTVS	3.385	N#Cc1ccccc1n2ccnc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C#N)n2ccnc2
Canonical SMILES	CACTVS	3.385	N#Cc1ccccc1n2ccnc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C#N)n2ccnc2
InChI	InChI	1.06	InChI=1S/C10H7N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H
InChIKey	InChI	1.06	MNKBJOSIVSQUBI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	190275

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.