N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide

C6H11N3O — CID 54399781

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide
SMILESCC(=O)NCC1=NCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyZSLJRDXBZPQBHV-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.88
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide (PubChem CID 54399781) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide
PubChem CID54399781
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide
SMILESCC(=O)NCC1=NCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyZSLJRDXBZPQBHV-UHFFFAOYSA-N
XLogP-0.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide (CID 54399781) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide is CC(=O)NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is ZSLJRDXBZPQBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 54399781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).