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

C34H35N3OS — CID 142917315

IUPAC3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
SMILESCc1ccc(C2CCN(CCCN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3c3cccs3)CC2)cc1
InChIInChI=1S/C34H35N3OS/c1-26-15-17-27(18-16-26)28-19-23-36(24-20-28)21-9-22-37-32(31-14-8-25-39-31)35-34(33(37)38,29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-8,10-18,25,28H,9,19-24H2,1H3
InChIKeyTUFKIBVWFKJBEL-UHFFFAOYSA-N
MW533.74 g/mol
LogP6.86
Rot. Bonds8

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

3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917315) has the molecular formula C34H35N3OS and a molecular weight of 533.74 g/mol. Its IUPAC name is 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
PubChem CID142917315
Molecular FormulaC34H35N3OS
Molecular Weight533.74 g/mol
Exact Mass533.25
IUPAC Name3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
SMILESCc1ccc(C2CCN(CCCN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3c3cccs3)CC2)cc1
InChIInChI=1S/C34H35N3OS/c1-26-15-17-27(18-16-26)28-19-23-36(24-20-28)21-9-22-37-32(31-14-8-25-39-31)35-34(33(37)38,29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-8,10-18,25,28H,9,19-24H2,1H3
InChIKeyTUFKIBVWFKJBEL-UHFFFAOYSA-N
XLogP6.86
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.74
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one with MolForge

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Related Compounds

3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
CID 142917490
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917397
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917262
5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 21395250
3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
CID 142917255
5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917400
3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 10256086
5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
CID 3043731
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 10439243
5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
CID 142917227
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917746
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one (CID 142917315) is 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one is Cc1ccc(C2CCN(CCCN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3c3cccs3)CC2)cc1.
What is the InChIKey of 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The InChIKey is TUFKIBVWFKJBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3OS/c1-26-15-17-27(18-16-26)28-19-23-36(24-20-28)21-9-22-37-32(31-14-8-25-39-31)35-34(33(37)38,29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-8,10-18,25,28H,9,19-24H2,1H3.
What are the key properties of 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one has a molecular weight of 533.74 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).