4,7-dimethoxy-1H-benzimidazole

C9H10N2O2 — CID 13295890

IUPAC4,7-dimethoxy-1H-benzimidazole
SMILESCOc1ccc(OC)c2[nH]cnc12
InChIInChI=1S/C9H10N2O2/c1-12-6-3-4-7(13-2)9-8(6)10-5-11-9/h3-5H,1-2H3,(H,10,11)
InChIKeyFBPSBGSWWFBXQB-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

About 4,7-dimethoxy-1H-benzimidazole

4,7-dimethoxy-1H-benzimidazole (PubChem CID 13295890) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4,7-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name4,7-dimethoxy-1H-benzimidazole
PubChem CID13295890
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4,7-dimethoxy-1H-benzimidazole
SMILESCOc1ccc(OC)c2[nH]cnc12
InChIInChI=1S/C9H10N2O2/c1-12-6-3-4-7(13-2)9-8(6)10-5-11-9/h3-5H,1-2H3,(H,10,11)
InChIKeyFBPSBGSWWFBXQB-UHFFFAOYSA-N
XLogP1.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1H-benzimidazole?
The IUPAC name of 4,7-dimethoxy-1H-benzimidazole (CID 13295890) is 4,7-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 4,7-dimethoxy-1H-benzimidazole?
The canonical SMILES for 4,7-dimethoxy-1H-benzimidazole is COc1ccc(OC)c2[nH]cnc12.
What is the InChIKey of 4,7-dimethoxy-1H-benzimidazole?
The InChIKey is FBPSBGSWWFBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-6-3-4-7(13-2)9-8(6)10-5-11-9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 4,7-dimethoxy-1H-benzimidazole?
4,7-dimethoxy-1H-benzimidazole has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 13295890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).