1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine

C9H18IN5O — CID 87858430

IUPAC1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine
SMILESINN1CCN=C1NCCN1CCOCC1
InChIInChI=1S/C9H18IN5O/c10-13-15-4-2-12-9(15)11-1-3-14-5-7-16-8-6-14/h13H,1-8H2,(H,11,12)
InChIKeyBEYALYOITMUWQM-UHFFFAOYSA-N
MW339.18 g/mol
LogP-0.57
Rot. Bonds4

About 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine

1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine (PubChem CID 87858430) has the molecular formula C9H18IN5O and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine.

Molecular Properties

Compound Name1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine
PubChem CID87858430
Molecular FormulaC9H18IN5O
Molecular Weight339.18 g/mol
Exact Mass339.06
IUPAC Name1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine
SMILESINN1CCN=C1NCCN1CCOCC1
InChIInChI=1S/C9H18IN5O/c10-13-15-4-2-12-9(15)11-1-3-14-5-7-16-8-6-14/h13H,1-8H2,(H,11,12)
InChIKeyBEYALYOITMUWQM-UHFFFAOYSA-N
XLogP-0.57
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine?
The IUPAC name of 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine (CID 87858430) is 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine.
What is the SMILES notation for 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine?
The canonical SMILES for 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine is INN1CCN=C1NCCN1CCOCC1.
What is the InChIKey of 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine?
The InChIKey is BEYALYOITMUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN5O/c10-13-15-4-2-12-9(15)11-1-3-14-5-7-16-8-6-14/h13H,1-8H2,(H,11,12).
What are the key properties of 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine?
1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine has a molecular weight of 339.18 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-iodo-2-N-(2-morpholin-4-ylethyl)-4,5-dihydroimidazole-1,2-diamine is sourced from PubChem (CID 87858430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).