(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione

C16H17ClN4O2 — CID 98678423

IUPAC(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCCCn2ccnc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c17-12-2-4-13(5-3-12)21-15(22)10-14(16(21)23)19-6-1-8-20-9-7-18-11-20/h2-5,7,9,11,14,19H,1,6,8,10H2/t14-/m1/s1
InChIKeyWGCRJOWVHYRHSH-CQSZACIVSA-N
MW332.79 g/mol
LogP1.85
Rot. Bonds6

About (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione

(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione (PubChem CID 98678423) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione
PubChem CID98678423
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCCCn2ccnc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c17-12-2-4-13(5-3-12)21-15(22)10-14(16(21)23)19-6-1-8-20-9-7-18-11-20/h2-5,7,9,11,14,19H,1,6,8,10H2/t14-/m1/s1
InChIKeyWGCRJOWVHYRHSH-CQSZACIVSA-N
XLogP1.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione 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

3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine
CID 43635100
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
CID 61326141
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
1-(4-chlorophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 2961815
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710173
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300652
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione (CID 98678423) is (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione is O=C1C[C@@H](NCCCn2ccnc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is WGCRJOWVHYRHSH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-2-4-13(5-3-12)21-15(22)10-14(16(21)23)19-6-1-8-20-9-7-18-11-20/h2-5,7,9,11,14,19H,1,6,8,10H2/t14-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione?
(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 332.79 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98678423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).