2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine

C16H13N3O2 — CID 167831156

IUPAC2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine
SMILESCOc1ccc2cc(-c3nc4ccncc4n3C)oc2c1
InChIInChI=1S/C16H13N3O2/c1-19-13-9-17-6-5-12(13)18-16(19)15-7-10-3-4-11(20-2)8-14(10)21-15/h3-9H,1-2H3
InChIKeyDVJPYLBAPGVLCF-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.39
Rot. Bonds2

About 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine

2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine (PubChem CID 167831156) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine
PubChem CID167831156
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine
SMILESCOc1ccc2cc(-c3nc4ccncc4n3C)oc2c1
InChIInChI=1S/C16H13N3O2/c1-19-13-9-17-6-5-12(13)18-16(19)15-7-10-3-4-11(20-2)8-14(10)21-15/h3-9H,1-2H3
InChIKeyDVJPYLBAPGVLCF-UHFFFAOYSA-N
XLogP3.39
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine (CID 167831156) is 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine is COc1ccc2cc(-c3nc4ccncc4n3C)oc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine?
The InChIKey is DVJPYLBAPGVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19-13-9-17-6-5-12(13)18-16(19)15-7-10-3-4-11(20-2)8-14(10)21-15/h3-9H,1-2H3.
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine?
2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine has a molecular weight of 279.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 167831156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).