2-(4-iodo-1H-imidazol-5-yl)ethanamine

C5H8IN3 — CID 610329

IUPAC2-(4-iodo-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]cnc1I
InChIInChI=1S/C5H8IN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
InChIKeyVFGXPKFIDXTKNM-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.52
Rot. Bonds2

About 2-(4-iodo-1H-imidazol-5-yl)ethanamine

2-(4-iodo-1H-imidazol-5-yl)ethanamine (PubChem CID 610329) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-(4-iodo-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodo-1H-imidazol-5-yl)ethanamine
PubChem CID610329
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC Name2-(4-iodo-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]cnc1I
InChIInChI=1S/C5H8IN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
InChIKeyVFGXPKFIDXTKNM-UHFFFAOYSA-N
XLogP0.52
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodo-1H-imidazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
4-Methylhistamine
CID 37463
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
2-Methylhistamine
CID 91613
Histamine, 2,5-diiodo-
CID 630605
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544
2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
CID 215819
N-Methylhistamine dihydrochloride
CID 16078977

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(4-iodo-1H-imidazol-5-yl)ethanamine (CID 610329) is 2-(4-iodo-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-iodo-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-iodo-1H-imidazol-5-yl)ethanamine is NCCc1[nH]cnc1I.
What is the InChIKey of 2-(4-iodo-1H-imidazol-5-yl)ethanamine?
The InChIKey is VFGXPKFIDXTKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9).
What are the key properties of 2-(4-iodo-1H-imidazol-5-yl)ethanamine?
2-(4-iodo-1H-imidazol-5-yl)ethanamine has a molecular weight of 237.04 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 610329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).