N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide

C7H13N3O — CID 22750372

IUPACN-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)C1=NCCN1
InChIInChI=1S/C7H13N3O/c1-5(10-6(2)11)7-8-3-4-9-7/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyCXZPOAPAENDHRR-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.49
Rot. Bonds2

About N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide

N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 22750372) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide
PubChem CID22750372
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)C1=NCCN1
InChIInChI=1S/C7H13N3O/c1-5(10-6(2)11)7-8-3-4-9-7/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyCXZPOAPAENDHRR-UHFFFAOYSA-N
XLogP-0.49
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide (CID 22750372) is N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide is CC(=O)NC(C)C1=NCCN1.
What is the InChIKey of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is CXZPOAPAENDHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(10-6(2)11)7-8-3-4-9-7/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide?
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide has a molecular weight of 155.20 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 22750372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).