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

C7H10IN3O — CID 171384154

IUPACN-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide
SMILESCC(=O)NCCc1[nH]cnc1I
InChIInChI=1S/C7H10IN3O/c1-5(12)9-3-2-6-7(8)11-4-10-6/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyCFSQXBULUYYFHE-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.69
Rot. Bonds3

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

N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 171384154) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide
PubChem CID171384154
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC NameN-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide
SMILESCC(=O)NCCc1[nH]cnc1I
InChIInChI=1S/C7H10IN3O/c1-5(12)9-3-2-6-7(8)11-4-10-6/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyCFSQXBULUYYFHE-UHFFFAOYSA-N
XLogP0.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide (CID 171384154) is N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide is CC(=O)NCCc1[nH]cnc1I.
What is the InChIKey of N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is CFSQXBULUYYFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-5(12)9-3-2-6-7(8)11-4-10-6/h4H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 279.08 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 171384154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).