2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one

C17H25ClN2O — CID 83238166

IUPAC2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
SMILESCCCC(C)N1C(=O)C(C)(CC)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-5-8-12(3)20-15(13-9-7-10-14(18)11-13)19-17(4,6-2)16(20)21/h7,9-12,15,19H,5-6,8H2,1-4H3
InChIKeyCBNYGGFVBDROAN-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one

2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one (PubChem CID 83238166) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
PubChem CID83238166
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
SMILESCCCC(C)N1C(=O)C(C)(CC)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-5-8-12(3)20-15(13-9-7-10-14(18)11-13)19-17(4,6-2)16(20)21/h7,9-12,15,19H,5-6,8H2,1-4H3
InChIKeyCBNYGGFVBDROAN-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245613
2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
CID 83252025
3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
CID 83258678
2-cyclopentyl-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239474
3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
CID 83239586
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83253324
5-ethyl-3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83260407
5-ethyl-2-(4-fluorophenyl)-5-methyl-3-(3-methylbutan-2-yl)imidazolidin-4-one
CID 83248492
3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83225204
2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
CID 83246188

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one (CID 83238166) is 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one is CCCC(C)N1C(=O)C(C)(CC)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one?
The InChIKey is CBNYGGFVBDROAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-5-8-12(3)20-15(13-9-7-10-14(18)11-13)19-17(4,6-2)16(20)21/h7,9-12,15,19H,5-6,8H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one?
2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one has a molecular weight of 308.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83238166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).