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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Related Compounds

1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 10367867
1-[5-methyl-5-[4-(4-methylphenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722299
4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile
CID 11245460
1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one
CID 12986486
1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722307
2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 118491918
1-[(2S)-3-[4-[1-[4-[(2S)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl]-3-(4-chlorophenyl)imidazolidin-2-one
CID 143892738
1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 11509790
4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide
CID 137348624
3-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551304
3-(4-chlorophenyl)sulfanyl-4-[4-(2-methylpropoxy)phenyl]-1-propan-2-ylpyrrole-2,5-dione
CID 110551619
N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67248861

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).