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

C27H30ClN3O2 — CID 5278470

IUPAC1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCC(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C27H30ClN3O2/c1-2-21(13-17-30-18-19-31(27(30)32)25-11-15-29-16-12-25)14-20-33-26-9-5-23(6-10-26)22-3-7-24(28)8-4-22/h3-12,15-16,21H,2,13-14,17-20H2,1H3
InChIKeyRCQRYEYZZSADGP-UHFFFAOYSA-N
MW464.01 g/mol
LogP6.53
Rot. Bonds10

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

1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278470) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278470
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Name1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCC(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C27H30ClN3O2/c1-2-21(13-17-30-18-19-31(27(30)32)25-11-15-29-16-12-25)14-20-33-26-9-5-23(6-10-26)22-3-7-24(28)8-4-22/h3-12,15-16,21H,2,13-14,17-20H2,1H3
InChIKeyRCQRYEYZZSADGP-UHFFFAOYSA-N
XLogP6.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 56.53
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]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278470) is 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one is CCC(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is RCQRYEYZZSADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-2-21(13-17-30-18-19-31(27(30)32)25-11-15-29-16-12-25)14-20-33-26-9-5-23(6-10-26)22-3-7-24(28)8-4-22/h3-12,15-16,21H,2,13-14,17-20H2,1H3.
What are the key properties of 1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-chlorophenyl)phenoxy]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 464.01 g/mol, XLogP of 6.53, 10 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]-3-ethylpentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).