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

C14H18N2O3 — CID 62214074

IUPAC5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
SMILESCOc1cc2nc(C3CCCCO3)[nH]c2cc1OC
InChIInChI=1S/C14H18N2O3/c1-17-12-7-9-10(8-13(12)18-2)16-14(15-9)11-5-3-4-6-19-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyZEHRFDFAMMVLDV-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.82
Rot. Bonds3

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

5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole (PubChem CID 62214074) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
PubChem CID62214074
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
SMILESCOc1cc2nc(C3CCCCO3)[nH]c2cc1OC
InChIInChI=1S/C14H18N2O3/c1-17-12-7-9-10(8-13(12)18-2)16-14(15-9)11-5-3-4-6-19-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyZEHRFDFAMMVLDV-UHFFFAOYSA-N
XLogP2.82
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole (CID 62214074) is 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole is COc1cc2nc(C3CCCCO3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole?
The InChIKey is ZEHRFDFAMMVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-12-7-9-10(8-13(12)18-2)16-14(15-9)11-5-3-4-6-19-11/h7-8,11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole?
5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole has a molecular weight of 262.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 62214074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).