1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one

C20H24FN3O3 — CID 10150393

IUPAC1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C
InChIInChI=1S/C20H24FN3O3/c1-22(2)11-12-27-19-14-17(7-8-18(19)26-3)24-10-9-23(20(24)25)16-6-4-5-15(21)13-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyCBTNAKGKQQLTCL-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.22
Rot. Bonds7

About 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one

1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one (PubChem CID 10150393) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
PubChem CID10150393
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C
InChIInChI=1S/C20H24FN3O3/c1-22(2)11-12-27-19-14-17(7-8-18(19)26-3)24-10-9-23(20(24)25)16-6-4-5-15(21)13-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyCBTNAKGKQQLTCL-UHFFFAOYSA-N
XLogP3.22
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one (CID 10150393) is 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one is COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN(C)C.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one?
The InChIKey is CBTNAKGKQQLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-22(2)11-12-27-19-14-17(7-8-18(19)26-3)24-10-9-23(20(24)25)16-6-4-5-15(21)13-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one?
1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one has a molecular weight of 373.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 10150393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).