2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one

C15H21FN2O3 — CID 114983330

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2CCOC(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-10(2)21-7-6-18-14(19)9-17-15(18)11-4-5-13(20-3)12(16)8-11/h4-5,8,10,15,17H,6-7,9H2,1-3H3
InChIKeyTWWOFQFSEYDWOE-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.69
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one

2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one (PubChem CID 114983330) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
PubChem CID114983330
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2CCOC(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-10(2)21-7-6-18-14(19)9-17-15(18)11-4-5-13(20-3)12(16)8-11/h4-5,8,10,15,17H,6-7,9H2,1-3H3
InChIKeyTWWOFQFSEYDWOE-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one (CID 114983330) is 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one is COc1ccc(C2NCC(=O)N2CCOC(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The InChIKey is TWWOFQFSEYDWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(2)21-7-6-18-14(19)9-17-15(18)11-4-5-13(20-3)12(16)8-11/h4-5,8,10,15,17H,6-7,9H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one has a molecular weight of 296.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one is sourced from PubChem (CID 114983330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).