2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole

C15H16N2O3 — CID 61365501

IUPAC2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3cc(C)oc3C)[nH]c2cc1OC
InChIInChI=1S/C15H16N2O3/c1-8-5-10(9(2)20-8)15-16-11-6-13(18-3)14(19-4)7-12(11)17-15/h5-7H,1-4H3,(H,16,17)
InChIKeySWDIDPUBTBQJSZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.46
Rot. Bonds3

About 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole

2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 61365501) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID61365501
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3cc(C)oc3C)[nH]c2cc1OC
InChIInChI=1S/C15H16N2O3/c1-8-5-10(9(2)20-8)15-16-11-6-13(18-3)14(19-4)7-12(11)17-15/h5-7H,1-4H3,(H,16,17)
InChIKeySWDIDPUBTBQJSZ-UHFFFAOYSA-N
XLogP3.46
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole (CID 61365501) is 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(-c3cc(C)oc3C)[nH]c2cc1OC.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is SWDIDPUBTBQJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-5-10(9(2)20-8)15-16-11-6-13(18-3)14(19-4)7-12(11)17-15/h5-7H,1-4H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole?
2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 272.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 61365501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).