3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide

C17H21ClN4O3 — CID 119514778

IUPAC3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCC1CCCN1
InChIInChI=1S/C17H21ClN4O3/c18-11-3-5-13(6-4-11)22-16(24)14(21-17(22)25)7-8-15(23)20-10-12-2-1-9-19-12/h3-6,12,14,19H,1-2,7-10H2,(H,20,23)(H,21,25)
InChIKeyWTJVSWMSVUQKSC-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.41
Rot. Bonds6

About 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide

3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119514778) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119514778
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCC1CCCN1
InChIInChI=1S/C17H21ClN4O3/c18-11-3-5-13(6-4-11)22-16(24)14(21-17(22)25)7-8-15(23)20-10-12-2-1-9-19-12/h3-6,12,14,19H,1-2,7-10H2,(H,20,23)(H,21,25)
InChIKeyWTJVSWMSVUQKSC-UHFFFAOYSA-N
XLogP1.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)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

2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119429245
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
CID 119643950
N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119605285
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119576008
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 76946339
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 167837601
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119514778) is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide is O=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCC1CCCN1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is WTJVSWMSVUQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c18-11-3-5-13(6-4-11)22-16(24)14(21-17(22)25)7-8-15(23)20-10-12-2-1-9-19-12/h3-6,12,14,19H,1-2,7-10H2,(H,20,23)(H,21,25).
What are the key properties of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide?
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 364.83 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119514778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).