2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one

C17H25ClN2O — CID 83246188

IUPAC2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C(C)C)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-5-14(6-2)20-16(12-8-7-9-13(18)10-12)19-15(11(3)4)17(20)21/h7-11,14-16,19H,5-6H2,1-4H3
InChIKeyORTPDAAIVNVDJC-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.98
Rot. Bonds5

About 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one

2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83246188) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
PubChem CID83246188
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C(C)C)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-5-14(6-2)20-16(12-8-7-9-13(18)10-12)19-15(11(3)4)17(20)21/h7-11,14-16,19H,5-6H2,1-4H3
InChIKeyORTPDAAIVNVDJC-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one (CID 83246188) is 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one is CCC(CC)N1C(=O)C(C(C)C)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is ORTPDAAIVNVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-5-14(6-2)20-16(12-8-7-9-13(18)10-12)19-15(11(3)4)17(20)21/h7-11,14-16,19H,5-6H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one?
2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 308.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83246188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).