A1AJU

4-ethenyl-1H-imidazole

Created:	2024-04-03
Last modified:	2024-05-08

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1 entries where A1AJU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	5

2D diagram of A1AJU

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Chemical Component Summary
Name	4-ethenyl-1H-imidazole
Systematic Name (OpenEye OEToolkits)	4-ethenyl-1~{H}-imidazole
Formula	C₅ H₆ N₂
Molecular Weight	94.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=Cc1c[NH]cn1
SMILES	CACTVS	3.385	C=Cc1c[nH]cn1
SMILES	OpenEye OEToolkits	2.0.7	C=Cc1c[nH]cn1
Canonical SMILES	CACTVS	3.385	C=Cc1c[nH]cn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C=Cc1c[nH]cn1
InChI	InChI	1.06	InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
InChIKey	InChI	1.06	MHQZDNQHLGFBRN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	271079

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