1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine

C7H13N3O2 — CID 82711516

IUPAC1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ncc[nH]1
InChIInChI=1S/C7H13N3O2/c1-11-4-5-12-10-6-7-8-2-3-9-7/h2-3,10H,4-6H2,1H3,(H,8,9)
InChIKeyKIMAHGSTSPDGEG-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.08
Rot. Bonds6

About 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine

1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine (PubChem CID 82711516) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine
PubChem CID82711516
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ncc[nH]1
InChIInChI=1S/C7H13N3O2/c1-11-4-5-12-10-6-7-8-2-3-9-7/h2-3,10H,4-6H2,1H3,(H,8,9)
InChIKeyKIMAHGSTSPDGEG-UHFFFAOYSA-N
XLogP0.08
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine 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-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine (CID 82711516) is 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine is COCCONCc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is KIMAHGSTSPDGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-11-4-5-12-10-6-7-8-2-3-9-7/h2-3,10H,4-6H2,1H3,(H,8,9).
What are the key properties of 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine?
1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine has a molecular weight of 171.20 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82711516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).