6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine

C21H13N3OS — CID 135177873

IUPAC6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-c3cc4ccc5c(ccc6ccoc65)c4s3)cc2[nH]1
InChIInChI=1S/C21H13N3OS/c1-11-23-17-8-14(10-22-21(17)24-11)18-9-13-3-4-15-16(20(13)26-18)5-2-12-6-7-25-19(12)15/h2-10H,1H3,(H,22,23,24)
InChIKeyORERLEQXVRJYFB-UHFFFAOYSA-N
MW355.42 g/mol
LogP6.05
Rot. Bonds1

About 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine

6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 135177873) has the molecular formula C21H13N3OS and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID135177873
Molecular FormulaC21H13N3OS
Molecular Weight355.42 g/mol
Exact Mass355.08
IUPAC Name6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(-c3cc4ccc5c(ccc6ccoc65)c4s3)cc2[nH]1
InChIInChI=1S/C21H13N3OS/c1-11-23-17-8-14(10-22-21(17)24-11)18-9-13-3-4-15-16(20(13)26-18)5-2-12-6-7-25-19(12)15/h2-10H,1H3,(H,22,23,24)
InChIKeyORERLEQXVRJYFB-UHFFFAOYSA-N
XLogP6.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine (CID 135177873) is 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine is Cc1nc2ncc(-c3cc4ccc5c(ccc6ccoc65)c4s3)cc2[nH]1.
What is the InChIKey of 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is ORERLEQXVRJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3OS/c1-11-23-17-8-14(10-22-21(17)24-11)18-9-13-3-4-15-16(20(13)26-18)5-2-12-6-7-25-19(12)15/h2-10H,1H3,(H,22,23,24).
What are the key properties of 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 355.42 g/mol, XLogP of 6.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1]benzothiolo[7,6-g][1]benzofuran-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 135177873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).