1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

C13H19N3O2 — CID 82336590

IUPAC1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCOc1cc2nc(C(C)N(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O2/c1-8(16(2)3)13-14-9-6-11(17-4)12(18-5)7-10(9)15-13/h6-8H,1-5H3,(H,14,15)
InChIKeyVKQBSZBOYRPGRD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.20
Rot. Bonds4

About 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (PubChem CID 82336590) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
PubChem CID82336590
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCOc1cc2nc(C(C)N(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O2/c1-8(16(2)3)13-14-9-6-11(17-4)12(18-5)7-10(9)15-13/h6-8H,1-5H3,(H,14,15)
InChIKeyVKQBSZBOYRPGRD-UHFFFAOYSA-N
XLogP2.20
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (CID 82336590) is 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is COc1cc2nc(C(C)N(C)C)[nH]c2cc1OC.
What is the InChIKey of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The InChIKey is VKQBSZBOYRPGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(16(2)3)13-14-9-6-11(17-4)12(18-5)7-10(9)15-13/h6-8H,1-5H3,(H,14,15).
What are the key properties of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 82336590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).