3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one

C34H35N3O2S — CID 142917705

IUPAC3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
SMILESCOc1ccc(C2CCN(CCCN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3c3cccs3)CC2)cc1
InChIInChI=1S/C34H35N3O2S/c1-39-30-17-15-26(16-18-30)27-19-23-36(24-20-27)21-9-22-37-32(31-14-8-25-40-31)35-34(33(37)38,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-8,10-18,25,27H,9,19-24H2,1H3
InChIKeyFAUOXDVZPCUTQK-UHFFFAOYSA-N
MW549.74 g/mol
LogP6.56
Rot. Bonds9

About 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one

3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917705) has the molecular formula C34H35N3O2S and a molecular weight of 549.74 g/mol. Its IUPAC name is 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
PubChem CID142917705
Molecular FormulaC34H35N3O2S
Molecular Weight549.74 g/mol
Exact Mass549.24
IUPAC Name3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
SMILESCOc1ccc(C2CCN(CCCN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3c3cccs3)CC2)cc1
InChIInChI=1S/C34H35N3O2S/c1-39-30-17-15-26(16-18-30)27-19-23-36(24-20-27)21-9-22-37-32(31-14-8-25-40-31)35-34(33(37)38,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-8,10-18,25,27H,9,19-24H2,1H3
InChIKeyFAUOXDVZPCUTQK-UHFFFAOYSA-N
XLogP6.56
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.74
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one (CID 142917705) is 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one is COc1ccc(C2CCN(CCCN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3c3cccs3)CC2)cc1.
What is the InChIKey of 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The InChIKey is FAUOXDVZPCUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O2S/c1-39-30-17-15-26(16-18-30)27-19-23-36(24-20-27)21-9-22-37-32(31-14-8-25-40-31)35-34(33(37)38,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-8,10-18,25,27H,9,19-24H2,1H3.
What are the key properties of 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one has a molecular weight of 549.74 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).