2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide

C7H10ClN3O2 — CID 25227428

IUPAC2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CCCl)c(=O)[nH]1
InChIInChI=1S/C7H10ClN3O2/c8-1-2-11-4-5(3-6(9)12)10-7(11)13/h4H,1-3H2,(H2,9,12)(H,10,13)
InChIKeyXMRSTUNVGRRUPV-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.56
Rot. Bonds4

About 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide

2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide (PubChem CID 25227428) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
PubChem CID25227428
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CCCl)c(=O)[nH]1
InChIInChI=1S/C7H10ClN3O2/c8-1-2-11-4-5(3-6(9)12)10-7(11)13/h4H,1-3H2,(H2,9,12)(H,10,13)
InChIKeyXMRSTUNVGRRUPV-UHFFFAOYSA-N
XLogP-0.56
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide (CID 25227428) is 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide is NC(=O)Cc1cn(CCCl)c(=O)[nH]1.
What is the InChIKey of 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The InChIKey is XMRSTUNVGRRUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-1-2-11-4-5(3-6(9)12)10-7(11)13/h4H,1-3H2,(H2,9,12)(H,10,13).
What are the key properties of 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide?
2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide has a molecular weight of 203.63 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]acetamide is sourced from PubChem (CID 25227428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).