1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

C28H33N3O2 — CID 58722299

IUPAC1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCc1ccc(-c2ccc(OC(C)(C)CCCCN3CCN(c4ccncc4)C3=O)cc2)cc1
InChIInChI=1S/C28H33N3O2/c1-22-6-8-23(9-7-22)24-10-12-26(13-11-24)33-28(2,3)16-4-5-19-30-20-21-31(27(30)32)25-14-17-29-18-15-25/h6-15,17-18H,4-5,16,19-21H2,1-3H3
InChIKeyRRZRQZNZFYMWBZ-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.33
Rot. Bonds9

About 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 58722299) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID58722299
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCc1ccc(-c2ccc(OC(C)(C)CCCCN3CCN(c4ccncc4)C3=O)cc2)cc1
InChIInChI=1S/C28H33N3O2/c1-22-6-8-23(9-7-22)24-10-12-26(13-11-24)33-28(2,3)16-4-5-19-30-20-21-31(27(30)32)25-14-17-29-18-15-25/h6-15,17-18H,4-5,16,19-21H2,1-3H3
InChIKeyRRZRQZNZFYMWBZ-UHFFFAOYSA-N
XLogP6.33
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one (CID 58722299) is 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one is Cc1ccc(-c2ccc(OC(C)(C)CCCCN3CCN(c4ccncc4)C3=O)cc2)cc1.
What is the InChIKey of 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is RRZRQZNZFYMWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-22-6-8-23(9-7-22)24-10-12-26(13-11-24)33-28(2,3)16-4-5-19-30-20-21-31(27(30)32)25-14-17-29-18-15-25/h6-15,17-18H,4-5,16,19-21H2,1-3H3.
What are the key properties of 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 443.59 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 58722299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).