(5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione

C21H24FN3O2S — CID 26032001

IUPAC(5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C21H24FN3O2S/c1-2-3-10-21(16-4-6-17(22)7-5-16)19(26)25(20(27)23-21)14-24-11-8-18-15(13-24)9-12-28-18/h4-7,9,12H,2-3,8,10-11,13-14H2,1H3,(H,23,27)/t21-/m1/s1
InChIKeyWFWBZMKROOGZAK-OAQYLSRUSA-N
MW401.51 g/mol
LogP3.84
Rot. Bonds6

About (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 26032001) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID26032001
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC Name(5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C21H24FN3O2S/c1-2-3-10-21(16-4-6-17(22)7-5-16)19(26)25(20(27)23-21)14-24-11-8-18-15(13-24)9-12-28-18/h4-7,9,12H,2-3,8,10-11,13-14H2,1H3,(H,23,27)/t21-/m1/s1
InChIKeyWFWBZMKROOGZAK-OAQYLSRUSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 26032202
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
tert-butyl 4-[[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
CID 26002248
5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 47057013
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18142631
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 7620277
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7620682

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 26032001) is (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O.
What is the InChIKey of (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is WFWBZMKROOGZAK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c1-2-3-10-21(16-4-6-17(22)7-5-16)19(26)25(20(27)23-21)14-24-11-8-18-15(13-24)9-12-28-18/h4-7,9,12H,2-3,8,10-11,13-14H2,1H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 401.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 26032001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).