2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C16H21ClN2OS — CID 83269990

IUPAC2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(Cl)cc2)N(CC2CCCS2)C1=O
InChIInChI=1S/C16H21ClN2OS/c1-2-14-16(20)19(10-13-4-3-9-21-13)15(18-14)11-5-7-12(17)8-6-11/h5-8,13-15,18H,2-4,9-10H2,1H3
InChIKeyMJWOEXGDVUFDFA-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83269990) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83269990
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(Cl)cc2)N(CC2CCCS2)C1=O
InChIInChI=1S/C16H21ClN2OS/c1-2-14-16(20)19(10-13-4-3-9-21-13)15(18-14)11-5-7-12(17)8-6-11/h5-8,13-15,18H,2-4,9-10H2,1H3
InChIKeyMJWOEXGDVUFDFA-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266975
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271224
5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266966
2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one
CID 83233410
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
2-(3-chlorophenyl)-3-(cyclopentylmethyl)-5-ethylimidazolidin-4-one
CID 83247552
2-(4-chlorophenyl)-5-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83252770
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)-5-ethylimidazolidin-4-one
CID 83243617

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83269990) is 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CCC1NC(c2ccc(Cl)cc2)N(CC2CCCS2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is MJWOEXGDVUFDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-2-14-16(20)19(10-13-4-3-9-21-13)15(18-14)11-5-7-12(17)8-6-11/h5-8,13-15,18H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 324.88 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83269990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).