5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole

C12H8Br2N2O — CID 665062

IUPAC5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Br)o2)nc2cc(Br)ccc21
InChIInChI=1S/C12H8Br2N2O/c1-16-9-3-2-7(13)6-8(9)15-12(16)10-4-5-11(14)17-10/h2-6H,1H3
InChIKeyRWFILZXCLJOOIP-UHFFFAOYSA-N
MW356.02 g/mol
LogP4.36
Rot. Bonds1

About 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole

5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole (PubChem CID 665062) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole
PubChem CID665062
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Br)o2)nc2cc(Br)ccc21
InChIInChI=1S/C12H8Br2N2O/c1-16-9-3-2-7(13)6-8(9)15-12(16)10-4-5-11(14)17-10/h2-6H,1H3
InChIKeyRWFILZXCLJOOIP-UHFFFAOYSA-N
XLogP4.36
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
The IUPAC name of 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole (CID 665062) is 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
The canonical SMILES for 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole is Cn1c(-c2ccc(Br)o2)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
The InChIKey is RWFILZXCLJOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c1-16-9-3-2-7(13)6-8(9)15-12(16)10-4-5-11(14)17-10/h2-6H,1H3.
What are the key properties of 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole has a molecular weight of 356.02 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromofuran-2-yl)-1-methylbenzimidazole is sourced from PubChem (CID 665062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).