2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide

C8H14N4O — CID 114715967

IUPAC2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cncc1CCN
InChIInChI=1S/C8H14N4O/c1-10-8(13)5-12-6-11-4-7(12)2-3-9/h4,6H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyZNYNSVJKYMLTDW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.87
Rot. Bonds4

About 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide

2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide (PubChem CID 114715967) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
PubChem CID114715967
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cncc1CCN
InChIInChI=1S/C8H14N4O/c1-10-8(13)5-12-6-11-4-7(12)2-3-9/h4,6H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyZNYNSVJKYMLTDW-UHFFFAOYSA-N
XLogP-0.87
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 ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146106
N-methyl-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]acetamide
CID 114707928
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide (CID 114715967) is 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cncc1CCN.
What is the InChIKey of 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide?
The InChIKey is ZNYNSVJKYMLTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-10-8(13)5-12-6-11-4-7(12)2-3-9/h4,6H,2-3,5,9H2,1H3,(H,10,13).
What are the key properties of 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide?
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide has a molecular weight of 182.23 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 114715967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).