N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide

C13H21N5O2 — CID 72857971

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CN1CCNC1=O
InChIInChI=1S/C13H21N5O2/c1-3-6-17(9-11-14-4-7-16(11)2)12(19)10-18-8-5-15-13(18)20/h4,7H,3,5-6,8-10H2,1-2H3,(H,15,20)
InChIKeyZVHNNXPJRYSJRD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.18
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide

N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide (PubChem CID 72857971) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide
PubChem CID72857971
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CN1CCNC1=O
InChIInChI=1S/C13H21N5O2/c1-3-6-17(9-11-14-4-7-16(11)2)12(19)10-18-8-5-15-13(18)20/h4,7H,3,5-6,8-10H2,1-2H3,(H,15,20)
InChIKeyZVHNNXPJRYSJRD-UHFFFAOYSA-N
XLogP0.18
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide 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 N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide (CID 72857971) is N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide is CCCN(Cc1nccn1C)C(=O)CN1CCNC1=O.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide?
The InChIKey is ZVHNNXPJRYSJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-6-17(9-11-14-4-7-16(11)2)12(19)10-18-8-5-15-13(18)20/h4,7H,3,5-6,8-10H2,1-2H3,(H,15,20).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide?
N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(2-oxoimidazolidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 72857971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).