1DD

1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole

Created:	2013-06-20
Last modified:	2014-01-29

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1 entries where 1DD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of 1DD

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Chemical Component Summary
Name	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	1-(4-fluorophenyl)sulfonyl-2-methyl-benzimidazole
Formula	C₁₄ H₁₁ F N₂ O₂ S
Molecular Weight	290.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)S(=O)(=O)n2c3ccccc3nc2C
SMILES	CACTVS	3.370	Cc1nc2ccccc2n1[S](=O)(=O)c3ccc(F)cc3
SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F
Canonical SMILES	CACTVS	3.370	Cc1nc2ccccc2n1[S](=O)(=O)c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3
InChIKey	InChI	1.03	SMGZHCSEIBBFEJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1378094
PubChem	804705
ChEMBL	CHEMBL1378094

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