2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C22H25FN4O3 — CID 18088033

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCN(CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)Cc1cccc(F)c1
InChIInChI=1S/C22H25FN4O3/c1-22(12-11-16-7-4-3-5-8-16)20(29)27(21(30)24-22)25-19(28)15-26(2)14-17-9-6-10-18(23)13-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyHAVYSZQCIRWILZ-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.23
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 18088033) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID18088033
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCN(CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)Cc1cccc(F)c1
InChIInChI=1S/C22H25FN4O3/c1-22(12-11-16-7-4-3-5-8-16)20(29)27(21(30)24-22)25-19(28)15-26(2)14-17-9-6-10-18(23)13-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyHAVYSZQCIRWILZ-UHFFFAOYSA-N
XLogP2.23
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide 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

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250
2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 18088774
2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide
CID 8790308
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135813344
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 18094823
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 34201331
2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8793001
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 8599891
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 18088033) is 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CN(CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is HAVYSZQCIRWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-22(12-11-16-7-4-3-5-8-16)20(29)27(21(30)24-22)25-19(28)15-26(2)14-17-9-6-10-18(23)13-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,24,30)(H,25,28).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 18088033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).