3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea

C10H18N4O3 — CID 99122564

IUPAC3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
SMILESCC[C@]1(C)NC(=O)N(CCCNC(N)=O)C1=O
InChIInChI=1S/C10H18N4O3/c1-3-10(2)7(15)14(9(17)13-10)6-4-5-12-8(11)16/h3-6H2,1-2H3,(H,13,17)(H3,11,12,16)/t10-/m0/s1
InChIKeyIJWZAKWKGXVMGJ-JTQLQIEISA-N
MW242.28 g/mol
LogP-0.23
Rot. Bonds5

About 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea

3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea (PubChem CID 99122564) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea.

Molecular Properties

Compound Name3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
PubChem CID99122564
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
SMILESCC[C@]1(C)NC(=O)N(CCCNC(N)=O)C1=O
InChIInChI=1S/C10H18N4O3/c1-3-10(2)7(15)14(9(17)13-10)6-4-5-12-8(11)16/h3-6H2,1-2H3,(H,13,17)(H3,11,12,16)/t10-/m0/s1
InChIKeyIJWZAKWKGXVMGJ-JTQLQIEISA-N
XLogP-0.23
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea 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

1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782767
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
1-[3-(azepan-1-yl)propyl]-3-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
CID 111785005
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
CID 111121565
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783478
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111804193
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379216
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490486
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea?
The IUPAC name of 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea (CID 99122564) is 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea.
What is the SMILES notation for 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea?
The canonical SMILES for 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea is CC[C@]1(C)NC(=O)N(CCCNC(N)=O)C1=O.
What is the InChIKey of 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea?
The InChIKey is IJWZAKWKGXVMGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-10(2)7(15)14(9(17)13-10)6-4-5-12-8(11)16/h3-6H2,1-2H3,(H,13,17)(H3,11,12,16)/t10-/m0/s1.
What are the key properties of 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea?
3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea has a molecular weight of 242.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea is sourced from PubChem (CID 99122564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).