5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole

C15H15N3O3 — CID 62874984

IUPAC5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1cc2nc(-c3cccnc3OC)[nH]c2cc1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-7-10-11(8-13(12)20-2)18-14(17-10)9-5-4-6-16-15(9)21-3/h4-8H,1-3H3,(H,17,18)
InChIKeyWRYWHLWRKJYKJJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.65
Rot. Bonds4

About 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole

5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole (PubChem CID 62874984) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
PubChem CID62874984
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1cc2nc(-c3cccnc3OC)[nH]c2cc1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-7-10-11(8-13(12)20-2)18-14(17-10)9-5-4-6-16-15(9)21-3/h4-8H,1-3H3,(H,17,18)
InChIKeyWRYWHLWRKJYKJJ-UHFFFAOYSA-N
XLogP2.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole (CID 62874984) is 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole is COc1cc2nc(-c3cccnc3OC)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The InChIKey is WRYWHLWRKJYKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-19-12-7-10-11(8-13(12)20-2)18-14(17-10)9-5-4-6-16-15(9)21-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole has a molecular weight of 285.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 62874984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).