2-(6-methoxy-2-pyridinyl)-1H-benzimidazole

C13H11N3O — CID 3058001

IUPAC2-(6-methoxy-2-pyridinyl)-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H11N3O/c1-17-12-8-4-7-11(14-12)13-15-9-5-2-3-6-10(9)16-13/h2-8H,1H3,(H,15,16)
InChIKeyXWLMPRJXECQYAT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole

2-(6-methoxy-2-pyridinyl)-1H-benzimidazole (PubChem CID 3058001) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-1H-benzimidazole
PubChem CID3058001
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(6-methoxy-2-pyridinyl)-1H-benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H11N3O/c1-17-12-8-4-7-11(14-12)13-15-9-5-2-3-6-10(9)16-13/h2-8H,1H3,(H,15,16)
InChIKeyXWLMPRJXECQYAT-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole (CID 3058001) is 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole is COc1cccc(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole?
The InChIKey is XWLMPRJXECQYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-12-8-4-7-11(14-12)13-15-9-5-2-3-6-10(9)16-13/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole?
2-(6-methoxy-2-pyridinyl)-1H-benzimidazole has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 3058001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).