1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine

C18H19FN2S — CID 144528840

IUPAC1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine
SMILESC=C1NCCN1c1ccc(SCc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C18H19FN2S/c1-13-9-15(11-16(19)10-13)12-22-18-5-3-17(4-6-18)21-8-7-20-14(21)2/h3-6,9-11,20H,2,7-8,12H2,1H3
InChIKeyUKKPWCZGOXHHPJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.31
Rot. Bonds4

About 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine

1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine (PubChem CID 144528840) has the molecular formula C18H19FN2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine.

Molecular Properties

Compound Name1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine
PubChem CID144528840
Molecular FormulaC18H19FN2S
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Name1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine
SMILESC=C1NCCN1c1ccc(SCc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C18H19FN2S/c1-13-9-15(11-16(19)10-13)12-22-18-5-3-17(4-6-18)21-8-7-20-14(21)2/h3-6,9-11,20H,2,7-8,12H2,1H3
InChIKeyUKKPWCZGOXHHPJ-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-3-[4-(difluoromethylsulfanyl)phenyl]-1-[3-(dimethylamino)propyl]thiourea
CID 2541230
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600990
1-Benzyl-3-[4-(difluoromethylsulfanyl)phenyl]-1-propylthiourea
CID 4965598
N-ethyl-4-[3-[4-(2-methylphenyl)piperazin-1-yl]propylsulfanyl]aniline
CID 44439046
N-ethyl-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propylsulfanyl]aniline
CID 44439083
1-(4-Fluorophenyl)-3-{2-[(4-methylphenyl)sulfanyl]ethyl}thiourea
CID 2171119
N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572856
1-Benzyl-3-(2-fluorophenyl)-1-[(thiophen-2-YL)methyl]thiourea
CID 5141153
1-[2-(2-Fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 11500468
1-[2-(4-Fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 11565728
1-[2-(3-Fluorophenyl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 11645161
N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide
CID 12783497

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine?
The IUPAC name of 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine (CID 144528840) is 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine.
What is the SMILES notation for 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine?
The canonical SMILES for 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine is C=C1NCCN1c1ccc(SCc2cc(C)cc(F)c2)cc1.
What is the InChIKey of 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine?
The InChIKey is UKKPWCZGOXHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2S/c1-13-9-15(11-16(19)10-13)12-22-18-5-3-17(4-6-18)21-8-7-20-14(21)2/h3-6,9-11,20H,2,7-8,12H2,1H3.
What are the key properties of 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine?
1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine has a molecular weight of 314.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluoro-5-methylphenyl)methylsulfanyl]phenyl]-2-methylideneimidazolidine is sourced from PubChem (CID 144528840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).