1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

C16H13FN2OS — CID 4065112

IUPAC1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(Cc2ccccc2)C(=S)N1c1ccccc1F
InChIInChI=1S/C16H13FN2OS/c17-13-8-4-5-9-14(13)19-15(20)11-18(16(19)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyWRTXBWKDJFUOEV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.96
Rot. Bonds3

About 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 4065112) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID4065112
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(Cc2ccccc2)C(=S)N1c1ccccc1F
InChIInChI=1S/C16H13FN2OS/c17-13-8-4-5-9-14(13)19-15(20)11-18(16(19)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyWRTXBWKDJFUOEV-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 63646933
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
CID 19425383
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
1-tert-butyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 79257527
1,10-bis(4-aminobutyl)-4,7,13,16-tetrabenzyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 46228486
3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4164982
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-benzyl-4-sulfanylidenepyridin-2-one
CID 21284302
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
CID 135054757

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one (CID 4065112) is 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one is O=C1CN(Cc2ccccc2)C(=S)N1c1ccccc1F.
What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WRTXBWKDJFUOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-13-8-4-5-9-14(13)19-15(20)11-18(16(19)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4065112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).