3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H20F3N5O3 — CID 177241306

IUPAC3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1c(C(F)(F)F)nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1-c1cccc(N)c1
InChIInChI=1S/C24H20F3N5O3/c1-31-20(13-3-2-4-15(28)10-13)19(30-23(31)24(25,26)27)12-5-6-16-14(9-12)11-32(22(16)35)17-7-8-18(33)29-21(17)34/h2-6,9-10,17H,7-8,11,28H2,1H3,(H,29,33,34)
InChIKeyHJUXNPJNGJIXHY-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.12
Rot. Bonds3

About 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177241306) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177241306
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCn1c(C(F)(F)F)nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1-c1cccc(N)c1
InChIInChI=1S/C24H20F3N5O3/c1-31-20(13-3-2-4-15(28)10-13)19(30-23(31)24(25,26)27)12-5-6-16-14(9-12)11-32(22(16)35)17-7-8-18(33)29-21(17)34/h2-6,9-10,17H,7-8,11,28H2,1H3,(H,29,33,34)
InChIKeyHJUXNPJNGJIXHY-UHFFFAOYSA-N
XLogP3.12
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[4,5-diphenyl-1-(trifluoromethyl)imidazol-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241101
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
3-[6-[5-(5-amino-3-pyridinyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075603
3-[6-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075171
3-[6-(6-amino-3-fluoro-4-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077066
3-[6-[5-(3-methoxyphenyl)-1-(trifluoromethyl)triazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241040
3-[6-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577710
3-[6-[1-methyl-5-(3-piperidin-1-ylphenyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075129
3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-methylpyrazol-5-yl]benzamide
CID 171075340
3-[3-oxo-6-(5-phenyl-1,2-oxazol-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075864
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-[1-methyl-5-(2-phenylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075683

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177241306) is 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1c(C(F)(F)F)nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1-c1cccc(N)c1.
What is the InChIKey of 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is HJUXNPJNGJIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-31-20(13-3-2-4-15(28)10-13)19(30-23(31)24(25,26)27)12-5-6-16-14(9-12)11-32(22(16)35)17-7-8-18(33)29-21(17)34/h2-6,9-10,17H,7-8,11,28H2,1H3,(H,29,33,34).
What are the key properties of 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 483.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(3-aminophenyl)-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177241306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).