2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide

C8H14N4O — CID 106718094

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(CN)c1
InChIInChI=1S/C8H14N4O/c1-2-10-8(13)5-12-4-7(3-9)11-6-12/h4,6H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyXVGBGBJDUINVQW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.52
Rot. Bonds4

About 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide

2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide (PubChem CID 106718094) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
PubChem CID106718094
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(CN)c1
InChIInChI=1S/C8H14N4O/c1-2-10-8(13)5-12-4-7(3-9)11-6-12/h4,6H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyXVGBGBJDUINVQW-UHFFFAOYSA-N
XLogP-0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide 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-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide (CID 106718094) is 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cnc(CN)c1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
The InChIKey is XVGBGBJDUINVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-10-8(13)5-12-4-7(3-9)11-6-12/h4,6H,2-3,5,9H2,1H3,(H,10,13).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide has a molecular weight of 182.23 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 106718094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).