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

C25H26BrN3O2 — CID 10367867

IUPAC1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(CCCCCOc2ccc(-c3ccc(Br)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C25H26BrN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
InChIKeyKUQKJJNNDYBGQK-UHFFFAOYSA-N
MW480.41 g/mol
LogP6.00
Rot. Bonds9

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

1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 10367867) has the molecular formula C25H26BrN3O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID10367867
Molecular FormulaC25H26BrN3O2
Molecular Weight480.41 g/mol
Exact Mass479.12
IUPAC Name1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(CCCCCOc2ccc(-c3ccc(Br)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C25H26BrN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
InChIKeyKUQKJJNNDYBGQK-UHFFFAOYSA-N
XLogP6.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.41
LogP ≤ 56.00
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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Related Compounds

1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 5278480
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-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 11509790
1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58722289
2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 118491918
3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one
CID 63769909
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 10367867) is 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is O=C1N(CCCCCOc2ccc(-c3ccc(Br)cc3)cc2)CCN1c1ccncc1.
What is the InChIKey of 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is KUQKJJNNDYBGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2.
What are the key properties of 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 480.41 g/mol, XLogP of 6.00, 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-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 10367867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).