N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide

C8H15N3O — CID 20693624

IUPACN-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCN=C1C
InChIInChI=1S/C8H15N3O/c1-7-9-3-5-11(7)6-4-10-8(2)12/h3-6H2,1-2H3,(H,10,12)
InChIKeyZRCNHERMYSNAHV-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.14
Rot. Bonds3

About N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide

N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide (PubChem CID 20693624) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
PubChem CID20693624
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCN=C1C
InChIInChI=1S/C8H15N3O/c1-7-9-3-5-11(7)6-4-10-8(2)12/h3-6H2,1-2H3,(H,10,12)
InChIKeyZRCNHERMYSNAHV-UHFFFAOYSA-N
XLogP-0.14
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide (CID 20693624) is N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide is CC(=O)NCCN1CCN=C1C.
What is the InChIKey of N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide?
The InChIKey is ZRCNHERMYSNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-9-3-5-11(7)6-4-10-8(2)12/h3-6H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide?
N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide has a molecular weight of 169.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 20693624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).