5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one

C27H29N3OS — CID 142917754

IUPAC5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCCN2CCCCC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3OS/c31-26-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)28-25(24-16-10-21-32-24)30(26)20-11-19-29-17-8-3-9-18-29/h1-2,4-7,10,12-16,21H,3,8-9,11,17-20H2
InChIKeyDJKIONIXWRHXNL-UHFFFAOYSA-N
MW443.62 g/mol
LogP5.16
Rot. Bonds7

About 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one

5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917754) has the molecular formula C27H29N3OS and a molecular weight of 443.62 g/mol. Its IUPAC name is 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one
PubChem CID142917754
Molecular FormulaC27H29N3OS
Molecular Weight443.62 g/mol
Exact Mass443.20
IUPAC Name5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCCN2CCCCC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3OS/c31-26-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)28-25(24-16-10-21-32-24)30(26)20-11-19-29-17-8-3-9-18-29/h1-2,4-7,10,12-16,21H,3,8-9,11,17-20H2
InChIKeyDJKIONIXWRHXNL-UHFFFAOYSA-N
XLogP5.16
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one (CID 142917754) is 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one is O=C1N(CCCN2CCCCC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one?
The InChIKey is DJKIONIXWRHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3OS/c31-26-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)28-25(24-16-10-21-32-24)30(26)20-11-19-29-17-8-3-9-18-29/h1-2,4-7,10,12-16,21H,3,8-9,11,17-20H2.
What are the key properties of 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one?
5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one has a molecular weight of 443.62 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).