2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole

C16H10BrF4N3OS — CID 167082759

IUPAC2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole
SMILESCCSc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)C(F)(F)OC3(F)F
InChIInChI=1S/C16H10BrF4N3OS/c1-2-26-12-3-7(17)6-22-13(12)14-23-10-4-8-9(5-11(10)24-14)16(20,21)25-15(8,18)19/h3-6H,2H2,1H3,(H,23,24)
InChIKeyBUHDQDRGAPSZLD-UHFFFAOYSA-N
MW448.24 g/mol
LogP5.63
Rot. Bonds3

About 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole

2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole (PubChem CID 167082759) has the molecular formula C16H10BrF4N3OS and a molecular weight of 448.24 g/mol. Its IUPAC name is 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole
PubChem CID167082759
Molecular FormulaC16H10BrF4N3OS
Molecular Weight448.24 g/mol
Exact Mass446.97
IUPAC Name2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole
SMILESCCSc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)C(F)(F)OC3(F)F
InChIInChI=1S/C16H10BrF4N3OS/c1-2-26-12-3-7(17)6-22-13(12)14-23-10-4-8-9(5-11(10)24-14)16(20,21)25-15(8,18)19/h3-6H,2H2,1H3,(H,23,24)
InChIKeyBUHDQDRGAPSZLD-UHFFFAOYSA-N
XLogP5.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.24
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole with MolForge

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Related Compounds

2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 162572356
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 154691526
2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-5,5,7,7-tetrafluoro-1-methylfuro[3,4-f]benzimidazole
CID 153456339
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
CID 138497914
5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine
CID 138577938
5-bromo-3-ethylsulfanyl-2-[4-methyl-5-(2,2,3,3,3-pentafluoropropyl)-1,2,4-triazol-3-yl]pyridine
CID 167506978
5-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methylimidazol-4-amine
CID 135246325
6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
CID 117097307
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)-5H-benzimidazol-4-one
CID 145017721
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609
2-[3-ethylsulfanyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
CID 167506726

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole?
The IUPAC name of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole (CID 167082759) is 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole.
What is the SMILES notation for 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole?
The canonical SMILES for 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole is CCSc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)C(F)(F)OC3(F)F.
What is the InChIKey of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole?
The InChIKey is BUHDQDRGAPSZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF4N3OS/c1-2-26-12-3-7(17)6-22-13(12)14-23-10-4-8-9(5-11(10)24-14)16(20,21)25-15(8,18)19/h3-6H,2H2,1H3,(H,23,24).
What are the key properties of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole?
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole has a molecular weight of 448.24 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-5,5,7,7-tetrafluoro-3H-furo[3,4-f]benzimidazole is sourced from PubChem (CID 167082759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).