2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

C14H21N5O3 — CID 124852422

IUPAC2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2ncc(C)[nH]2)C1=O
InChIInChI=1S/C14H21N5O3/c1-4-5-19-13(21)10(17-14(19)22)6-12(20)18(3)8-11-15-7-9(2)16-11/h7,10H,4-6,8H2,1-3H3,(H,15,16)(H,17,22)/t10-/m0/s1
InChIKeyUSYOZJLVSFAIJF-JTQLQIEISA-N
MW307.35 g/mol
LogP0.40
Rot. Bonds6

About 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (PubChem CID 124852422) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
PubChem CID124852422
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2ncc(C)[nH]2)C1=O
InChIInChI=1S/C14H21N5O3/c1-4-5-19-13(21)10(17-14(19)22)6-12(20)18(3)8-11-15-7-9(2)16-11/h7,10H,4-6,8H2,1-3H3,(H,15,16)(H,17,22)/t10-/m0/s1
InChIKeyUSYOZJLVSFAIJF-JTQLQIEISA-N
XLogP0.40
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (CID 124852422) is 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2ncc(C)[nH]2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The InChIKey is USYOZJLVSFAIJF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O3/c1-4-5-19-13(21)10(17-14(19)22)6-12(20)18(3)8-11-15-7-9(2)16-11/h7,10H,4-6,8H2,1-3H3,(H,15,16)(H,17,22)/t10-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 124852422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).