1-(1H-imidazol-2-yl)-N-iodomethanamine

C4H6IN3 — CID 139514112

IUPAC1-(1H-imidazol-2-yl)-N-iodomethanamine
SMILESINCc1ncc[nH]1
InChIInChI=1S/C4H6IN3/c5-8-3-4-6-1-2-7-4/h1-2,8H,3H2,(H,6,7)
InChIKeyBSXRNZWQCAFVJN-UHFFFAOYSA-N
MW223.02 g/mol
LogP0.85
Rot. Bonds2

About 1-(1H-imidazol-2-yl)-N-iodomethanamine

1-(1H-imidazol-2-yl)-N-iodomethanamine (PubChem CID 139514112) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-iodomethanamine
PubChem CID139514112
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC Name1-(1H-imidazol-2-yl)-N-iodomethanamine
SMILESINCc1ncc[nH]1
InChIInChI=1S/C4H6IN3/c5-8-3-4-6-1-2-7-4/h1-2,8H,3H2,(H,6,7)
InChIKeyBSXRNZWQCAFVJN-UHFFFAOYSA-N
XLogP0.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1H-imidazol-2-yl)-N-iodomethanamine 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

N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
4-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 106840602
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-iodomethanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-iodomethanamine (CID 139514112) is 1-(1H-imidazol-2-yl)-N-iodomethanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-iodomethanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-iodomethanamine is INCc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-iodomethanamine?
The InChIKey is BSXRNZWQCAFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6IN3/c5-8-3-4-6-1-2-7-4/h1-2,8H,3H2,(H,6,7).
What are the key properties of 1-(1H-imidazol-2-yl)-N-iodomethanamine?
1-(1H-imidazol-2-yl)-N-iodomethanamine has a molecular weight of 223.02 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-iodomethanamine is sourced from PubChem (CID 139514112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).