5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole

C11H10BrFN2S — CID 79630755

IUPAC5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole
SMILESFc1cc2[nH]c(C3CCCS3)nc2cc1Br
InChIInChI=1S/C11H10BrFN2S/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h4-5,10H,1-3H2,(H,14,15)
InChIKeyYPGOKQAWYDIEIB-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.03
Rot. Bonds1

About 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole

5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole (PubChem CID 79630755) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole
PubChem CID79630755
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole
SMILESFc1cc2[nH]c(C3CCCS3)nc2cc1Br
InChIInChI=1S/C11H10BrFN2S/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h4-5,10H,1-3H2,(H,14,15)
InChIKeyYPGOKQAWYDIEIB-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole (CID 79630755) is 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole is Fc1cc2[nH]c(C3CCCS3)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole?
The InChIKey is YPGOKQAWYDIEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h4-5,10H,1-3H2,(H,14,15).
What are the key properties of 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole has a molecular weight of 301.18 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 79630755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).