2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one

C14H19ClN2O — CID 83242756

IUPAC2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)CNC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-3-12(4-2)17-13(18)9-16-14(17)10-6-5-7-11(15)8-10/h5-8,12,14,16H,3-4,9H2,1-2H3
InChIKeySZKHWFOKYLKTFM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one

2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83242756) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
PubChem CID83242756
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)CNC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-3-12(4-2)17-13(18)9-16-14(17)10-6-5-7-11(15)8-10/h5-8,12,14,16H,3-4,9H2,1-2H3
InChIKeySZKHWFOKYLKTFM-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
Simufilam
CID 46195331
(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584675
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
1-[(2-chlorophenyl)methyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 2726677
3-((4-Chlorophenyl)methyl)-2-thioxo-4-imidazolidinone
CID 2726678
3-[(3-Chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726683
2-[3-(3-Chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
CID 2767592
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one (CID 83242756) is 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one is CCC(CC)N1C(=O)CNC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is SZKHWFOKYLKTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-12(4-2)17-13(18)9-16-14(17)10-6-5-7-11(15)8-10/h5-8,12,14,16H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one?
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 266.77 g/mol, XLogP of 2.96, 4 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-ylimidazolidin-4-one is sourced from PubChem (CID 83242756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).