2-tert-butyl-5,6-dimethoxy-1H-benzimidazole

C13H18N2O2 — CID 39158314

IUPAC2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(C(C)(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H18N2O2/c1-13(2,3)12-14-8-6-10(16-4)11(17-5)7-9(8)15-12/h6-7H,1-5H3,(H,14,15)
InChIKeyWDHYMOMQIFPAAU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.88
Rot. Bonds2

About 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole

2-tert-butyl-5,6-dimethoxy-1H-benzimidazole (PubChem CID 39158314) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
PubChem CID39158314
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(C(C)(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H18N2O2/c1-13(2,3)12-14-8-6-10(16-4)11(17-5)7-9(8)15-12/h6-7H,1-5H3,(H,14,15)
InChIKeyWDHYMOMQIFPAAU-UHFFFAOYSA-N
XLogP2.88
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole (CID 39158314) is 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(C(C)(C)C)[nH]c2cc1OC.
What is the InChIKey of 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is WDHYMOMQIFPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)12-14-8-6-10(16-4)11(17-5)7-9(8)15-12/h6-7H,1-5H3,(H,14,15).
What are the key properties of 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole?
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 234.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 39158314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).