1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea

C24H20F2N4O3 — CID 166340548

IUPAC1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
SMILESCC1(c2ccc(CNC(=O)Nc3cccc(-c4ccc(F)c(F)c4)c3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H20F2N4O3/c1-24(21(31)29-23(33)30-24)17-8-5-14(6-9-17)13-27-22(32)28-18-4-2-3-15(11-18)16-7-10-19(25)20(26)12-16/h2-12H,13H2,1H3,(H2,27,28,32)(H2,29,30,31,33)
InChIKeyVKBHMBCZECLHEI-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.01
Rot. Bonds5

About 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea

1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea (PubChem CID 166340548) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
PubChem CID166340548
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
SMILESCC1(c2ccc(CNC(=O)Nc3cccc(-c4ccc(F)c(F)c4)c3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H20F2N4O3/c1-24(21(31)29-23(33)30-24)17-8-5-14(6-9-17)13-27-22(32)28-18-4-2-3-15(11-18)16-7-10-19(25)20(26)12-16/h2-12H,13H2,1H3,(H2,27,28,32)(H2,29,30,31,33)
InChIKeyVKBHMBCZECLHEI-UHFFFAOYSA-N
XLogP4.01
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
CID 166208148
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166206329
N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide
CID 166221820
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea (CID 166340548) is 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea is CC1(c2ccc(CNC(=O)Nc3cccc(-c4ccc(F)c(F)c4)c3)cc2)NC(=O)NC1=O.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The InChIKey is VKBHMBCZECLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-24(21(31)29-23(33)30-24)17-8-5-14(6-9-17)13-27-22(32)28-18-4-2-3-15(11-18)16-7-10-19(25)20(26)12-16/h2-12H,13H2,1H3,(H2,27,28,32)(H2,29,30,31,33).
What are the key properties of 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea has a molecular weight of 450.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea is sourced from PubChem (CID 166340548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).