A1CBM

2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol

Created:	2025-05-07
Last modified:	2025-07-09

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1 entries where A1CBM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	10

2D diagram of A1CBM

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Chemical Component Summary
Name	2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol
Systematic Name (OpenEye OEToolkits)	2-(5-azanylbenzimidazol-1-yl)ethanol
Formula	C₉ H₁₁ N₃ O
Molecular Weight	177.203
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Nc1cc2ncn(CCO)c2cc1
SMILES	CACTVS	3.385	Nc1ccc2n(CCO)cnc2c1
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1N)ncn2CCO
Canonical SMILES	CACTVS	3.385	Nc1ccc2n(CCO)cnc2c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1N)ncn2CCO
InChI	InChI	1.06	InChI=1S/C9H11N3O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2
InChIKey	InChI	1.06	QVMFSBBGSVJINR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1083172

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