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

C16H21FN2OS — CID 83266971

IUPAC2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(CC2CCCCS2)C1=O
InChIInChI=1S/C16H21FN2OS/c1-11-16(20)19(10-12-6-4-5-9-21-12)15(18-11)13-7-2-3-8-14(13)17/h2-3,7-8,11-12,15,18H,4-6,9-10H2,1H3
InChIKeyZHPPNTNUIVJPLH-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.93
Rot. Bonds3

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

2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83266971) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83266971
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(CC2CCCCS2)C1=O
InChIInChI=1S/C16H21FN2OS/c1-11-16(20)19(10-12-6-4-5-9-21-12)15(18-11)13-7-2-3-8-14(13)17/h2-3,7-8,11-12,15,18H,4-6,9-10H2,1H3
InChIKeyZHPPNTNUIVJPLH-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.93
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-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-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
CID 83268264
3-(cyclopentylmethyl)-2-(2-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83247801
3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
CID 83264546
3-(cyclopropylmethyl)-2-(2-fluorophenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83247755
2-(2-fluorophenyl)-3-(3-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 83248866
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
2-(2-fluorophenyl)-5-methyl-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243607
2-(4-chlorophenyl)-5-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269990

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83266971) is 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one is CC1NC(c2ccccc2F)N(CC2CCCCS2)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is ZHPPNTNUIVJPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-11-16(20)19(10-12-6-4-5-9-21-12)15(18-11)13-7-2-3-8-14(13)17/h2-3,7-8,11-12,15,18H,4-6,9-10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 308.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83266971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).