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

C17H24N2O2 — CID 65023198

IUPAC2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(C3CCCCCCC3)[nH]c2cc1OC
InChIInChI=1S/C17H24N2O2/c1-20-15-10-13-14(11-16(15)21-2)19-17(18-13)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyXFEGHYISUCPVFY-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.41
Rot. Bonds3

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

2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole (PubChem CID 65023198) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
PubChem CID65023198
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(C3CCCCCCC3)[nH]c2cc1OC
InChIInChI=1S/C17H24N2O2/c1-20-15-10-13-14(11-16(15)21-2)19-17(18-13)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyXFEGHYISUCPVFY-UHFFFAOYSA-N
XLogP4.41
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole (CID 65023198) is 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(C3CCCCCCC3)[nH]c2cc1OC.
What is the InChIKey of 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is XFEGHYISUCPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-20-15-10-13-14(11-16(15)21-2)19-17(18-13)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole?
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 288.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 65023198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).