3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C16H13N3OS — CID 42655878

IUPAC3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2ccsc2)c2ncn(-c3ccccc3)c2N1
InChIInChI=1S/C16H13N3OS/c20-14-8-13(11-6-7-21-9-11)15-16(18-14)19(10-17-15)12-4-2-1-3-5-12/h1-7,9-10,13H,8H2,(H,18,20)
InChIKeyONFLVVFPFZVKKV-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.41
Rot. Bonds2

About 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 42655878) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID42655878
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2ccsc2)c2ncn(-c3ccccc3)c2N1
InChIInChI=1S/C16H13N3OS/c20-14-8-13(11-6-7-21-9-11)15-16(18-14)19(10-17-15)12-4-2-1-3-5-12/h1-7,9-10,13H,8H2,(H,18,20)
InChIKeyONFLVVFPFZVKKV-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 42655878) is 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1CC(c2ccsc2)c2ncn(-c3ccccc3)c2N1.
What is the InChIKey of 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is ONFLVVFPFZVKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-14-8-13(11-6-7-21-9-11)15-16(18-14)19(10-17-15)12-4-2-1-3-5-12/h1-7,9-10,13H,8H2,(H,18,20).
What are the key properties of 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 295.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42655878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).