2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one

C16H21ClN2OS — CID 83266975

IUPAC2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc(Cl)cc2)N(CC2CCCCS2)C1=O
InChIInChI=1S/C16H21ClN2OS/c1-11-16(20)19(10-14-4-2-3-9-21-14)15(18-11)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,2-4,9-10H2,1H3
InChIKeyVUXFFGJSDFFMAA-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one

2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83266975) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83266975
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc(Cl)cc2)N(CC2CCCCS2)C1=O
InChIInChI=1S/C16H21ClN2OS/c1-11-16(20)19(10-14-4-2-3-9-21-14)15(18-11)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,2-4,9-10H2,1H3
InChIKeyVUXFFGJSDFFMAA-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266966
2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271224
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269990
2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266971
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
CID 83248992
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
2-(4-chlorophenyl)-3-cyclobutyl-5-methylimidazolidin-4-one
CID 83254897
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83236742
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83266975) is 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one is CC1NC(c2ccc(Cl)cc2)N(CC2CCCCS2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is VUXFFGJSDFFMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-11-16(20)19(10-14-4-2-3-9-21-14)15(18-11)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 324.88 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83266975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).