3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one

C16H21FN2O2 — CID 83248555

IUPAC3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one
SMILESCOc1ccc(C2NC(C)C(=O)N2C(C)C2CC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-9-16(20)19(10(2)11-4-5-11)15(18-9)12-6-7-14(21-3)13(17)8-12/h6-11,15,18H,4-5H2,1-3H3
InChIKeyHMRBSHSLACLVKA-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.45
Rot. Bonds4

About 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one

3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one (PubChem CID 83248555) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one
PubChem CID83248555
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one
SMILESCOc1ccc(C2NC(C)C(=O)N2C(C)C2CC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-9-16(20)19(10(2)11-4-5-11)15(18-9)12-6-7-14(21-3)13(17)8-12/h6-11,15,18H,4-5H2,1-3H3
InChIKeyHMRBSHSLACLVKA-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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Related Compounds

3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83244666
2-(3-fluoro-4-methoxyphenyl)-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
CID 83246247
3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
CID 83264546
2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 115282292
3-(1-cyclopropylethyl)-2-(4-methoxy-3-methylphenyl)imidazolidin-4-one
CID 83244192
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83238687
3-(1-cyclopropylethyl)-5-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83248578
5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one
CID 83239869
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83239274
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242836
2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983330
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one (CID 83248555) is 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one is COc1ccc(C2NC(C)C(=O)N2C(C)C2CC2)cc1F.
What is the InChIKey of 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one?
The InChIKey is HMRBSHSLACLVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9-16(20)19(10(2)11-4-5-11)15(18-9)12-6-7-14(21-3)13(17)8-12/h6-11,15,18H,4-5H2,1-3H3.
What are the key properties of 3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one?
3-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-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-(1-cyclopropylethyl)-2-(3-fluoro-4-methoxyphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83248555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).