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

C26H25ClF3N3O2 — CID 5278474

IUPAC1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(CCC(CCOc2ccc(-c3ccc(Cl)cc3)cc2)C(F)(F)F)CCN1c1ccncc1
InChIInChI=1S/C26H25ClF3N3O2/c27-22-5-1-19(2-6-22)20-3-7-24(8-4-20)35-18-12-21(26(28,29)30)11-15-32-16-17-33(25(32)34)23-9-13-31-14-10-23/h1-10,13-14,21H,11-12,15-18H2
InChIKeyXZJPKKVCUNZENH-UHFFFAOYSA-N
MW503.95 g/mol
LogP6.68
Rot. Bonds9

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

1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278474) has the molecular formula C26H25ClF3N3O2 and a molecular weight of 503.95 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278474
Molecular FormulaC26H25ClF3N3O2
Molecular Weight503.95 g/mol
Exact Mass503.16
IUPAC Name1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(CCC(CCOc2ccc(-c3ccc(Cl)cc3)cc2)C(F)(F)F)CCN1c1ccncc1
InChIInChI=1S/C26H25ClF3N3O2/c27-22-5-1-19(2-6-22)20-3-7-24(8-4-20)35-18-12-21(26(28,29)30)11-15-32-16-17-33(25(32)34)23-9-13-31-14-10-23/h1-10,13-14,21H,11-12,15-18H2
InChIKeyXZJPKKVCUNZENH-UHFFFAOYSA-N
XLogP6.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.95
LogP ≤ 56.68
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-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278474) is 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one is O=C1N(CCC(CCOc2ccc(-c3ccc(Cl)cc3)cc2)C(F)(F)F)CCN1c1ccncc1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is XZJPKKVCUNZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N3O2/c27-22-5-1-19(2-6-22)20-3-7-24(8-4-20)35-18-12-21(26(28,29)30)11-15-32-16-17-33(25(32)34)23-9-13-31-14-10-23/h1-10,13-14,21H,11-12,15-18H2.
What are the key properties of 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 503.95 g/mol, XLogP of 6.68, 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]-3-(trifluoromethyl)pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).