1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea

C20H20F2N4O4S — CID 41100755

IUPAC1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H20F2N4O4S/c1-3-29-14-10-6-13(7-11-14)23-18(31)25-26-16(27)20(2,24-19(26)28)12-4-8-15(9-5-12)30-17(21)22/h4-11,17H,3H2,1-2H3,(H,24,28)(H2,23,25,31)/t20-/m1/s1
InChIKeyQFHTYJFCLBAYNI-HXUWFJFHSA-N
MW450.47 g/mol
LogP3.36
Rot. Bonds7

About 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea

1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 41100755) has the molecular formula C20H20F2N4O4S and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea
PubChem CID41100755
Molecular FormulaC20H20F2N4O4S
Molecular Weight450.47 g/mol
Exact Mass450.12
IUPAC Name1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H20F2N4O4S/c1-3-29-14-10-6-13(7-11-14)23-18(31)25-26-16(27)20(2,24-19(26)28)12-4-8-15(9-5-12)30-17(21)22/h4-11,17H,3H2,1-2H3,(H,24,28)(H2,23,25,31)/t20-/m1/s1
InChIKeyQFHTYJFCLBAYNI-HXUWFJFHSA-N
XLogP3.36
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethylsulfanyl)phenyl]-3-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 51559695
1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
CID 8679353
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
N-[(2R)-butan-2-yl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703220
N-(4-chlorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42982854
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 2409253
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4993844
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 3965161
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea (CID 41100755) is 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is QFHTYJFCLBAYNI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20F2N4O4S/c1-3-29-14-10-6-13(7-11-14)23-18(31)25-26-16(27)20(2,24-19(26)28)12-4-8-15(9-5-12)30-17(21)22/h4-11,17H,3H2,1-2H3,(H,24,28)(H2,23,25,31)/t20-/m1/s1.
What are the key properties of 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea?
1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 450.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 41100755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).