6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole

C13H12N2O2 — CID 114821621

IUPAC6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3coc(C)c3)[nH]c2c1
InChIInChI=1S/C13H12N2O2/c1-8-5-9(7-17-8)13-14-11-4-3-10(16-2)6-12(11)15-13/h3-7H,1-2H3,(H,14,15)
InChIKeyBYJXCNGHXBPQNE-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.14
Rot. Bonds2

About 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole

6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole (PubChem CID 114821621) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
PubChem CID114821621
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3coc(C)c3)[nH]c2c1
InChIInChI=1S/C13H12N2O2/c1-8-5-9(7-17-8)13-14-11-4-3-10(16-2)6-12(11)15-13/h3-7H,1-2H3,(H,14,15)
InChIKeyBYJXCNGHXBPQNE-UHFFFAOYSA-N
XLogP3.14
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
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CID 754001
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
2-(5-iodothiophen-3-yl)-6-methoxy-1H-benzimidazole
CID 79693448
5-(6-methoxy-1H-benzimidazol-2-yl)pyridin-3-ol
CID 65017825
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 118624693
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CID 65017726

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole (CID 114821621) is 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole is COc1ccc2nc(-c3coc(C)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole?
The InChIKey is BYJXCNGHXBPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-5-9(7-17-8)13-14-11-4-3-10(16-2)6-12(11)15-13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole?
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole has a molecular weight of 228.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole is sourced from PubChem (CID 114821621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).