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

C26H29N3O2 — CID 137349590

IUPAC1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCc1cccc(-c2ccc(OCCCCCN3CCN(c4ccncc4)C3=O)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3
InChIKeyCVCFJWDRTKFPMW-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.55
Rot. Bonds9

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

1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 137349590) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID137349590
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCc1cccc(-c2ccc(OCCCCCN3CCN(c4ccncc4)C3=O)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3
InChIKeyCVCFJWDRTKFPMW-UHFFFAOYSA-N
XLogP5.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.55
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-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 137349590) is 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is Cc1cccc(-c2ccc(OCCCCCN3CCN(c4ccncc4)C3=O)cc2)c1.
What is the InChIKey of 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is CVCFJWDRTKFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3.
What are the key properties of 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 415.54 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 137349590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).