1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea

C24H28F4N5O2+ — CID 143244595

IUPAC1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESCC(C)CC1(C)[NH+]=C(N)N(Cc2ccc(CNC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)C1=O
InChIInChI=1S/C24H27F4N5O2/c1-14(2)11-23(3)20(34)33(21(29)32-23)13-16-6-4-15(5-7-16)12-30-22(35)31-17-8-9-19(25)18(10-17)24(26,27)28/h4-10,14H,11-13H2,1-3H3,(H2,29,32)(H2,30,31,35)/p+1
InChIKeyYYKAUWKPMNZCNP-UHFFFAOYSA-O
MW494.51 g/mol
LogP2.71
Rot. Bonds7

About 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea

1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea (PubChem CID 143244595) has the molecular formula C24H28F4N5O2+ and a molecular weight of 494.51 g/mol. Its IUPAC name is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
PubChem CID143244595
Molecular FormulaC24H28F4N5O2+
Molecular Weight494.51 g/mol
Exact Mass494.22
IUPAC Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESCC(C)CC1(C)[NH+]=C(N)N(Cc2ccc(CNC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)C1=O
InChIInChI=1S/C24H27F4N5O2/c1-14(2)11-23(3)20(34)33(21(29)32-23)13-16-6-4-15(5-7-16)12-30-22(35)31-17-8-9-19(25)18(10-17)24(26,27)28/h4-10,14H,11-13H2,1-3H3,(H2,29,32)(H2,30,31,35)/p+1
InChIKeyYYKAUWKPMNZCNP-UHFFFAOYSA-O
XLogP2.71
TPSA101.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

3-Benzyl-2-(3,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655768
3-Phenethyl-2-m-tolylamino-3,5-dihydro-imidazol-4-one
CID 1454452
rac-3-{4-[3-(4-Cyanophenyl)-ureidomethyl]benzyl}-5-isobutyl-5-methyl-2-iminohydantoin
CID 45484151
3-Cyclohexyl-2-(2,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 1454432
3-Benzyl-2-m-tolylamino-3,5-dihydro-imidazol-4-one
CID 651451
2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4145120
2-[4-Methyl-2-(4-methylpiperidin-1-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 91904033
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-3-ium-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 117072219
1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one
CID 655723
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-fluoro-phenyl)-amide] 2-(4-methyl-benzylamide)
CID 3219654
2-{2-[(4-fluoro-3-methylphenyl)amino]-4-methyl-6-oxopyrimidin-1(6H)-yl}-N-(propan-2-yl)acetamide
CID 49813733
2-{2-[(3,5-dimethylphenyl)amino]-4-methyl-6-oxopyrimidin-1(6H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51364697

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea (CID 143244595) is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea is CC(C)CC1(C)[NH+]=C(N)N(Cc2ccc(CNC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)C1=O.
What is the InChIKey of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is YYKAUWKPMNZCNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27F4N5O2/c1-14(2)11-23(3)20(34)33(21(29)32-23)13-16-6-4-15(5-7-16)12-30-22(35)31-17-8-9-19(25)18(10-17)24(26,27)28/h4-10,14H,11-13H2,1-3H3,(H2,29,32)(H2,30,31,35)/p+1.
What are the key properties of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 494.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 143244595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).