N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C21H18N4O3 — CID 37186591

IUPACN-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(-n3ccnc3)cc1)C2=O
InChIInChI=1S/C21H18N4O3/c1-14-2-7-17-18(12-14)21(28)25(20(17)27)10-8-19(26)23-15-3-5-16(6-4-15)24-11-9-22-13-24/h2-7,9,11-13H,8,10H2,1H3,(H,23,26)
InChIKeyHUDYGAHBINQXGD-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.81
Rot. Bonds5

About N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 37186591) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID37186591
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(-n3ccnc3)cc1)C2=O
InChIInChI=1S/C21H18N4O3/c1-14-2-7-17-18(12-14)21(28)25(20(17)27)10-8-19(26)23-15-3-5-16(6-4-15)24-11-9-22-13-24/h2-7,9,11-13H,8,10H2,1H3,(H,23,26)
InChIKeyHUDYGAHBINQXGD-UHFFFAOYSA-N
XLogP2.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55855859
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 37193063
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55797969
4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide
CID 55894451
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30426218
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 38940722
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide
CID 46473246

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 37186591) is N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(-n3ccnc3)cc1)C2=O.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HUDYGAHBINQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-2-7-17-18(12-14)21(28)25(20(17)27)10-8-19(26)23-15-3-5-16(6-4-15)24-11-9-22-13-24/h2-7,9,11-13H,8,10H2,1H3,(H,23,26).
What are the key properties of N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 37186591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).