1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

C26H28ClN3O2 — CID 5278480

IUPAC1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H28ClN3O2/c1-20(3-2-16-29-17-18-30(26(29)31)24-12-14-28-15-13-24)19-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3
InChIKeyKVUGCUNKQIFODJ-UHFFFAOYSA-N
MW449.98 g/mol
LogP6.14
Rot. Bonds9

About 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278480) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278480
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H28ClN3O2/c1-20(3-2-16-29-17-18-30(26(29)31)24-12-14-28-15-13-24)19-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3
InChIKeyKVUGCUNKQIFODJ-UHFFFAOYSA-N
XLogP6.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278480) is 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one is CC(CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is KVUGCUNKQIFODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-20(3-2-16-29-17-18-30(26(29)31)24-12-14-28-15-13-24)19-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3.
What are the key properties of 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 449.98 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).