5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine

C11H7BrFN3S — CID 66349762

IUPAC5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1ccsc1
InChIInChI=1S/C11H7BrFN3S/c12-7-3-9-10(4-8(7)13)16(11(14)15-9)6-1-2-17-5-6/h1-5H,(H2,14,15)
InChIKeyKUFYSMIFJSKAFP-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.57
Rot. Bonds1

About 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine

5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine (PubChem CID 66349762) has the molecular formula C11H7BrFN3S and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine
PubChem CID66349762
Molecular FormulaC11H7BrFN3S
Molecular Weight312.17 g/mol
Exact Mass310.95
IUPAC Name5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1ccsc1
InChIInChI=1S/C11H7BrFN3S/c12-7-3-9-10(4-8(7)13)16(11(14)15-9)6-1-2-17-5-6/h1-5H,(H2,14,15)
InChIKeyKUFYSMIFJSKAFP-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine (CID 66349762) is 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1-c1ccsc1.
What is the InChIKey of 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine?
The InChIKey is KUFYSMIFJSKAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3S/c12-7-3-9-10(4-8(7)13)16(11(14)15-9)6-1-2-17-5-6/h1-5H,(H2,14,15).
What are the key properties of 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine?
5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine has a molecular weight of 312.17 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine is sourced from PubChem (CID 66349762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).