6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one

C19H16N4OS — CID 56863722

IUPAC6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCn1ccnc1-c1cccs1
InChIInChI=1S/C19H16N4OS/c24-18-9-8-16(15-5-2-1-3-6-15)21-23(18)13-12-22-11-10-20-19(22)17-7-4-14-25-17/h1-11,14H,12-13H2
InChIKeySHMBCPZIQWEZRY-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.54
Rot. Bonds5

About 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one

6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one (PubChem CID 56863722) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one
PubChem CID56863722
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCn1ccnc1-c1cccs1
InChIInChI=1S/C19H16N4OS/c24-18-9-8-16(15-5-2-1-3-6-15)21-23(18)13-12-22-11-10-20-19(22)17-7-4-14-25-17/h1-11,14H,12-13H2
InChIKeySHMBCPZIQWEZRY-UHFFFAOYSA-N
XLogP3.54
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one (CID 56863722) is 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CCn1ccnc1-c1cccs1.
What is the InChIKey of 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one?
The InChIKey is SHMBCPZIQWEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18-9-8-16(15-5-2-1-3-6-15)21-23(18)13-12-22-11-10-20-19(22)17-7-4-14-25-17/h1-11,14H,12-13H2.
What are the key properties of 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one?
6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one has a molecular weight of 348.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 56863722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).