A1CFK

1-benzyl-1H-1,3-benzimidazole-2-sulfonic acid

Created:	2025-06-09
Last modified:	2026-02-04

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2 entries where A1CFK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	16

2D diagram of A1CFK

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Chemical Component Summary
Name	1-benzyl-1H-1,3-benzimidazole-2-sulfonic acid
Systematic Name (OpenEye OEToolkits)	1-(phenylmethyl)benzimidazole-2-sulfonic acid
Formula	C₁₄ H₁₂ N₂ O₃ S
Molecular Weight	288.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1
SMILES	CACTVS	3.385	O[S](=O)(=O)c1nc2ccccc2n1Cc3ccccc3
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)Cn2c3ccccc3nc2S(=O)(=O)O
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)c1nc2ccccc2n1Cc3ccccc3
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)Cn2c3ccccc3nc2S(=O)(=O)O
InChI	InChI	1.06	InChI=1S/C14H12N2O3S/c17-20(18,19)14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKey	InChI	1.06	HGYLMBSADYHHGI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1850394, 2772580
ChEMBL	CHEMBL1595731

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