2-benzyl-5,6-dimethoxy-1H-benzimidazole

C16H16N2O2 — CID 39158335

IUPAC2-benzyl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(Cc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C16H16N2O2/c1-19-14-9-12-13(10-15(14)20-2)18-16(17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)
InChIKeyYMKZSOXUEFHATF-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds4

About 2-benzyl-5,6-dimethoxy-1H-benzimidazole

2-benzyl-5,6-dimethoxy-1H-benzimidazole (PubChem CID 39158335) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-benzyl-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-5,6-dimethoxy-1H-benzimidazole
PubChem CID39158335
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-benzyl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(Cc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C16H16N2O2/c1-19-14-9-12-13(10-15(14)20-2)18-16(17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)
InChIKeyYMKZSOXUEFHATF-UHFFFAOYSA-N
XLogP3.17
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-benzyl-5,6-dimethoxy-1H-benzimidazole (CID 39158335) is 2-benzyl-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-benzyl-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(Cc3ccccc3)[nH]c2cc1OC.
What is the InChIKey of 2-benzyl-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is YMKZSOXUEFHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-14-9-12-13(10-15(14)20-2)18-16(17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-benzyl-5,6-dimethoxy-1H-benzimidazole?
2-benzyl-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 39158335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).