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

C5H9N3O — CID 18740878

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)acetamide
SMILESCC(=O)NC1=NCCN1
InChIInChI=1S/C5H9N3O/c1-4(9)8-5-6-2-3-7-5/h2-3H2,1H3,(H2,6,7,8,9)
InChIKeyDNRFPVXCXURUTI-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.92
Rot. Bonds

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

N-(4,5-dihydro-1H-imidazol-2-yl)acetamide (PubChem CID 18740878) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)acetamide
PubChem CID18740878
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)acetamide
SMILESCC(=O)NC1=NCCN1
InChIInChI=1S/C5H9N3O/c1-4(9)8-5-6-2-3-7-5/h2-3H2,1H3,(H2,6,7,8,9)
InChIKeyDNRFPVXCXURUTI-UHFFFAOYSA-N
XLogP-0.92
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.92
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-yl)acetamide?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)acetamide (CID 18740878) is N-(4,5-dihydro-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)acetamide is CC(=O)NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The InChIKey is DNRFPVXCXURUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(9)8-5-6-2-3-7-5/h2-3H2,1H3,(H2,6,7,8,9).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
N-(4,5-dihydro-1H-imidazol-2-yl)acetamide has a molecular weight of 127.15 g/mol, XLogP of -0.92, 0 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-yl)acetamide is sourced from PubChem (CID 18740878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).