4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide

C21H21N3O2 — CID 46232058

IUPAC4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
SMILESCc1ccc(C)c(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c1
InChIInChI=1S/C21H21N3O2/c1-15-8-9-16(2)18(12-15)20(25)13-19(24-11-10-22-14-24)21(26)23-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,23,26)
InChIKeyPHIIFIGTXQOGFD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.95
Rot. Bonds6

About 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide

4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide (PubChem CID 46232058) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
PubChem CID46232058
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
SMILESCc1ccc(C)c(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c1
InChIInChI=1S/C21H21N3O2/c1-15-8-9-16(2)18(12-15)20(25)13-19(24-11-10-22-14-24)21(26)23-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,23,26)
InChIKeyPHIIFIGTXQOGFD-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide 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

(2R)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxobutanoate
CID 7007389
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
CID 126824390
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone
CID 2104348
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
CID 3506875
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450
4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 25334647
2-(2,4-dimethylphenyl)-2-hydroxy-N-phenylacetamide
CID 82132089
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide
CID 178080817
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24651767

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide (CID 46232058) is 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide is Cc1ccc(C)c(C(=O)CC(C(=O)Nc2ccccc2)n2ccnc2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
The InChIKey is PHIIFIGTXQOGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-8-9-16(2)18(12-15)20(25)13-19(24-11-10-22-14-24)21(26)23-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide has a molecular weight of 347.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 46232058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).