4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C14H11BrFN3S — CID 79598824

IUPAC4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1cc2[nH]c(C3NCCc4sccc43)nc2cc1Br
InChIInChI=1S/C14H11BrFN3S/c15-8-5-10-11(6-9(8)16)19-14(18-10)13-7-2-4-20-12(7)1-3-17-13/h2,4-6,13,17H,1,3H2,(H,18,19)
InChIKeyAEJUYTRBLPLKHW-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.76
Rot. Bonds1

About 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 79598824) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID79598824
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1cc2[nH]c(C3NCCc4sccc43)nc2cc1Br
InChIInChI=1S/C14H11BrFN3S/c15-8-5-10-11(6-9(8)16)19-14(18-10)13-7-2-4-20-12(7)1-3-17-13/h2,4-6,13,17H,1,3H2,(H,18,19)
InChIKeyAEJUYTRBLPLKHW-UHFFFAOYSA-N
XLogP3.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 79598824) is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Fc1cc2[nH]c(C3NCCc4sccc43)nc2cc1Br.
What is the InChIKey of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is AEJUYTRBLPLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c15-8-5-10-11(6-9(8)16)19-14(18-10)13-7-2-4-20-12(7)1-3-17-13/h2,4-6,13,17H,1,3H2,(H,18,19).
What are the key properties of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 352.23 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 79598824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).