methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate

C16H13N3O3 — CID 167976195

IUPACmethyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(-c3cccc4c3COC4)nc2n1
InChIInChI=1S/C16H13N3O3/c1-21-16(20)13-6-5-12-15(18-13)19-14(17-12)10-4-2-3-9-7-22-8-11(9)10/h2-6H,7-8H2,1H3,(H,17,18,19)
InChIKeyAWOJBBVNENLOJK-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate

methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 167976195) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID167976195
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(-c3cccc4c3COC4)nc2n1
InChIInChI=1S/C16H13N3O3/c1-21-16(20)13-6-5-12-15(18-13)19-14(17-12)10-4-2-3-9-7-22-8-11(9)10/h2-6H,7-8H2,1H3,(H,17,18,19)
InChIKeyAWOJBBVNENLOJK-UHFFFAOYSA-N
XLogP2.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate (CID 167976195) is methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2[nH]c(-c3cccc4c3COC4)nc2n1.
What is the InChIKey of methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is AWOJBBVNENLOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-16(20)13-6-5-12-15(18-13)19-14(17-12)10-4-2-3-9-7-22-8-11(9)10/h2-6H,7-8H2,1H3,(H,17,18,19).
What are the key properties of methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dihydro-2-benzofuran-4-yl)-1H-imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 167976195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).