2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

C12H16N4O2 — CID 2812642

IUPAC2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C12H16N4O2/c13-10-4-2-1-3-9(10)11(17)14-5-7-16-8-6-15-12(16)18/h1-4H,5-8,13H2,(H,14,17)(H,15,18)
InChIKeyWJBHSVYXUTTXRV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.02
Rot. Bonds4

About 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (PubChem CID 2812642) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
PubChem CID2812642
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C12H16N4O2/c13-10-4-2-1-3-9(10)11(17)14-5-7-16-8-6-15-12(16)18/h1-4H,5-8,13H2,(H,14,17)(H,15,18)
InChIKeyWJBHSVYXUTTXRV-UHFFFAOYSA-N
XLogP0.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (CID 2812642) is 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is Nc1ccccc1C(=O)NCCN1CCNC1=O.
What is the InChIKey of 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The InChIKey is WJBHSVYXUTTXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-10-4-2-1-3-9(10)11(17)14-5-7-16-8-6-15-12(16)18/h1-4H,5-8,13H2,(H,14,17)(H,15,18).
What are the key properties of 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide has a molecular weight of 248.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 2812642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).