FW4

1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole

Created:	2018-04-23
Last modified:	2018-09-19

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1 entries where FW4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	16

2D diagram of FW4

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Chemical Component Summary
Name	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-2-piperazin-1-yl-benzimidazole
Formula	C₂₀ H₂₂ Cl F N₄
Molecular Weight	372.867
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc2cc3n(Cc1cc(Cl)c(cc1)F)c(nc3cc2C)N4CCNCC4
SMILES	CACTVS	3.385	Cc1cc2nc(N3CCNCC3)n(Cc4ccc(F)c(Cl)c4)c2cc1C
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F
Canonical SMILES	CACTVS	3.385	Cc1cc2nc(N3CCNCC3)n(Cc4ccc(F)c(Cl)c4)c2cc1C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F
InChI	InChI	1.03	InChI=1S/C20H22ClFN4/c1-13-9-18-19(10-14(13)2)26(12-15-3-4-17(22)16(21)11-15)20(24-18)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3
InChIKey	InChI	1.03	BQDQIRCHYJZDPW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134814242
ChEMBL	CHEMBL4210860

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