1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride

C25H28ClN3O2 — CID 45260126

IUPAC1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride
SMILESCl.O=C1N(CCCCCOc2ccc(-c3ccccc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C25H27N3O2.ClH/c29-25-27(18-19-28(25)23-13-15-26-16-14-23)17-5-2-6-20-30-24-11-9-22(10-12-24)21-7-3-1-4-8-21;/h1,3-4,7-16H,2,5-6,17-20H2;1H
InChIKeyUQLAPVRARJBBAH-UHFFFAOYSA-N
MW437.97 g/mol
LogP5.66
Rot. Bonds9

About 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride

1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride (PubChem CID 45260126) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride
PubChem CID45260126
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride
SMILESCl.O=C1N(CCCCCOc2ccc(-c3ccccc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C25H27N3O2.ClH/c29-25-27(18-19-28(25)23-13-15-26-16-14-23)17-5-2-6-20-30-24-11-9-22(10-12-24)21-7-3-1-4-8-21;/h1,3-4,7-16H,2,5-6,17-20H2;1H
InChIKeyUQLAPVRARJBBAH-UHFFFAOYSA-N
XLogP5.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 55.66
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-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride (CID 45260126) is 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride is Cl.O=C1N(CCCCCOc2ccc(-c3ccccc3)cc2)CCN1c1ccncc1.
What is the InChIKey of 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride?
The InChIKey is UQLAPVRARJBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.ClH/c29-25-27(18-19-28(25)23-13-15-26-16-14-23)17-5-2-6-20-30-24-11-9-22(10-12-24)21-7-3-1-4-8-21;/h1,3-4,7-16H,2,5-6,17-20H2;1H.
What are the key properties of 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride?
1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride has a molecular weight of 437.97 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one;hydrochloride is sourced from PubChem (CID 45260126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).