2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole

C22H21FN2S — CID 22744820

IUPAC2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole
SMILESCC1(C)CN=C(c2cccc(F)c2CSc2cccc3ccccc23)N1
InChIInChI=1S/C22H21FN2S/c1-22(2)14-24-21(25-22)17-10-6-11-19(23)18(17)13-26-20-12-5-8-15-7-3-4-9-16(15)20/h3-12H,13-14H2,1-2H3,(H,24,25)
InChIKeyQGYCEPCCNPOGMR-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.40
Rot. Bonds4

About 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole

2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole (PubChem CID 22744820) has the molecular formula C22H21FN2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole
PubChem CID22744820
Molecular FormulaC22H21FN2S
Molecular Weight364.49 g/mol
Exact Mass364.14
IUPAC Name2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole
SMILESCC1(C)CN=C(c2cccc(F)c2CSc2cccc3ccccc23)N1
InChIInChI=1S/C22H21FN2S/c1-22(2)14-24-21(25-22)17-10-6-11-19(23)18(17)13-26-20-12-5-8-15-7-3-4-9-16(15)20/h3-12H,13-14H2,1-2H3,(H,24,25)
InChIKeyQGYCEPCCNPOGMR-UHFFFAOYSA-N
XLogP5.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-bis(4-fluorophenyl)-2-(3-(methylsulfonyl)phenyl)-4,5-dihydro-1H-imidazole
CID 10223395
N-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-(1-naphthylsulfanyl)benzyl]amine
CID 826635
2-[3-Fluoro-2-(naphthalen-1-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 9841343
2-[3-Fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 9928373
2-[5-Fluoro-6-(naphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,4,5,6-tetrahydropyrimidine
CID 20628451
2-[2-[(4-Fluoronaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744756
2-[2-[(6-Fluoronaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744981
2-[2-[2-(1-benzothiophen-4-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
CID 59715388
2-[5-Fluoro-5-(naphthalen-1-ylsulfanylmethyl)cyclohexa-1,3-dien-1-yl]-1,4,5,6-tetrahydropyrimidine
CID 69237464
[2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)-6-fluorophenyl]-naphthalen-1-ylmethanethiol
CID 87657267
(3R)-3-(2-fluoro-5-naphthalen-1-ylsulfanylphenyl)-3,6,6-trimethyl-2H-1,4-thiazin-5-amine
CID 117872657
5,5-Diphenyl-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,4-dihydroimidazole
CID 140408681

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole?
The IUPAC name of 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole (CID 22744820) is 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole?
The canonical SMILES for 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole is CC1(C)CN=C(c2cccc(F)c2CSc2cccc3ccccc23)N1.
What is the InChIKey of 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole?
The InChIKey is QGYCEPCCNPOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2S/c1-22(2)14-24-21(25-22)17-10-6-11-19(23)18(17)13-26-20-12-5-8-15-7-3-4-9-16(15)20/h3-12H,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole?
2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole has a molecular weight of 364.49 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(naphthalen-1-ylsulfanylmethyl)phenyl]-5,5-dimethyl-1,4-dihydroimidazole is sourced from PubChem (CID 22744820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).