1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one

C15H14FN3OS — CID 145225860

IUPAC1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
SMILESNSc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C15H14FN3OS/c16-11-2-1-3-13(10-11)19-9-8-18(15(19)20)12-4-6-14(21-17)7-5-12/h1-7,10H,8-9,17H2
InChIKeyQAZRQCKLTACKOS-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one

1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one (PubChem CID 145225860) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
PubChem CID145225860
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
SMILESNSc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C15H14FN3OS/c16-11-2-1-3-13(10-11)19-9-8-18(15(19)20)12-4-6-14(21-17)7-5-12/h1-7,10H,8-9,17H2
InChIKeyQAZRQCKLTACKOS-UHFFFAOYSA-N
XLogP3.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
CID 143768763
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84788522
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
CID 10150393
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 167998872
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
1-(3-fluorophenyl)-4-methyl-1,5-diazocan-2-one
CID 117015126
1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
CID 175473804

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one (CID 145225860) is 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one is NSc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1.
What is the InChIKey of 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one?
The InChIKey is QAZRQCKLTACKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-11-2-1-3-13(10-11)19-9-8-18(15(19)20)12-4-6-14(21-17)7-5-12/h1-7,10H,8-9,17H2.
What are the key properties of 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one?
1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 145225860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).