1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine

C7H12ClN3O — CID 60702467

IUPAC1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
SMILESCCONCc1ncc(Cl)n1C
InChIInChI=1S/C7H12ClN3O/c1-3-12-10-5-7-9-4-6(8)11(7)2/h4,10H,3,5H2,1-2H3
InChIKeyLSRFZOULRXVLDN-UHFFFAOYSA-N
MW189.65 g/mol
LogP1.11
Rot. Bonds4

About 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine

1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine (PubChem CID 60702467) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
PubChem CID60702467
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
SMILESCCONCc1ncc(Cl)n1C
InChIInChI=1S/C7H12ClN3O/c1-3-12-10-5-7-9-4-6(8)11(7)2/h4,10H,3,5H2,1-2H3
InChIKeyLSRFZOULRXVLDN-UHFFFAOYSA-N
XLogP1.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 51.11
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine (CID 60702467) is 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine is CCONCc1ncc(Cl)n1C.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine?
The InChIKey is LSRFZOULRXVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-3-12-10-5-7-9-4-6(8)11(7)2/h4,10H,3,5H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine?
1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine has a molecular weight of 189.65 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine is sourced from PubChem (CID 60702467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).