5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione

C20H20F2N4O3 — CID 4239322

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCN(C)c1ccc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H20F2N4O3/c1-20(14-6-10-16(11-7-14)29-18(21)22)17(27)26(19(28)24-20)23-12-13-4-8-15(9-5-13)25(2)3/h4-12,18H,1-3H3,(H,24,28)
InChIKeyGQMKWQQCHNTSMW-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.16
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 4239322) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID4239322
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCN(C)c1ccc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H20F2N4O3/c1-20(14-6-10-16(11-7-14)29-18(21)22)17(27)26(19(28)24-20)23-12-13-4-8-15(9-5-13)25(2)3/h4-12,18H,1-3H3,(H,24,28)
InChIKeyGQMKWQQCHNTSMW-UHFFFAOYSA-N
XLogP3.16
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 3599094
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 4602183
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 5035394
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 16583793
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 24982838
5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4826104
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 4675954
N-[4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2,5-diketo-4-methyl-imidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 9608098
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16339109
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 16497244
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17410734

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione (CID 4239322) is 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione is CN(C)c1ccc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is GQMKWQQCHNTSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-20(14-6-10-16(11-7-14)29-18(21)22)17(27)26(19(28)24-20)23-12-13-4-8-15(9-5-13)25(2)3/h4-12,18H,1-3H3,(H,24,28).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 402.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4239322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).