3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one

C16H21FN2O2 — CID 83244666

IUPAC3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCOc1ccc(C2NC(C(C)C)C(=O)N2C2CC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-9(2)14-16(20)19(11-5-6-11)15(18-14)10-4-7-13(21-3)12(17)8-10/h4,7-9,11,14-15,18H,5-6H2,1-3H3
InChIKeyVUYVZTVYMGBXQQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.45
Rot. Bonds4

About 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one

3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83244666) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83244666
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCOc1ccc(C2NC(C(C)C)C(=O)N2C2CC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-9(2)14-16(20)19(11-5-6-11)15(18-14)10-4-7-13(21-3)12(17)8-10/h4,7-9,11,14-15,18H,5-6H2,1-3H3
InChIKeyVUYVZTVYMGBXQQ-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one (CID 83244666) is 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one is COc1ccc(C2NC(C(C)C)C(=O)N2C2CC2)cc1F.
What is the InChIKey of 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is VUYVZTVYMGBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9(2)14-16(20)19(11-5-6-11)15(18-14)10-4-7-13(21-3)12(17)8-10/h4,7-9,11,14-15,18H,5-6H2,1-3H3.
What are the key properties of 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one?
3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 292.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83244666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).