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

C12H9BrN2O — CID 665033

IUPAC2-(5-bromofuran-2-yl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Br)o2)nc2ccccc21
InChIInChI=1S/C12H9BrN2O/c1-15-9-5-3-2-4-8(9)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3
InChIKeyUANYWSTWMGECJO-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.60
Rot. Bonds1

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

2-(5-bromofuran-2-yl)-1-methylbenzimidazole (PubChem CID 665033) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-1-methylbenzimidazole
PubChem CID665033
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name2-(5-bromofuran-2-yl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Br)o2)nc2ccccc21
InChIInChI=1S/C12H9BrN2O/c1-15-9-5-3-2-4-8(9)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3
InChIKeyUANYWSTWMGECJO-UHFFFAOYSA-N
XLogP3.60
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-1-methylbenzimidazole (CID 665033) is 2-(5-bromofuran-2-yl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-1-methylbenzimidazole is Cn1c(-c2ccc(Br)o2)nc2ccccc21.
What is the InChIKey of 2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
The InChIKey is UANYWSTWMGECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c1-15-9-5-3-2-4-8(9)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-1-methylbenzimidazole?
2-(5-bromofuran-2-yl)-1-methylbenzimidazole has a molecular weight of 277.12 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-1-methylbenzimidazole is sourced from PubChem (CID 665033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).