5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene

C15H20N4O2 — CID 136756516

IUPAC5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene
SMILESCOCOC12CCC(C)(CC1)c1[nH]nc(-c3ncc[nH]3)c12
InChIInChI=1S/C15H20N4O2/c1-14-3-5-15(6-4-14,21-9-20-2)10-11(18-19-12(10)14)13-16-7-8-17-13/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGNMZJIMJGUWOFC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.46
Rot. Bonds4

About 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene

5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene (PubChem CID 136756516) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene
PubChem CID136756516
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene
SMILESCOCOC12CCC(C)(CC1)c1[nH]nc(-c3ncc[nH]3)c12
InChIInChI=1S/C15H20N4O2/c1-14-3-5-15(6-4-14,21-9-20-2)10-11(18-19-12(10)14)13-16-7-8-17-13/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGNMZJIMJGUWOFC-UHFFFAOYSA-N
XLogP2.46
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene?
The IUPAC name of 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene (CID 136756516) is 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene?
The canonical SMILES for 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene is COCOC12CCC(C)(CC1)c1[nH]nc(-c3ncc[nH]3)c12.
What is the InChIKey of 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene?
The InChIKey is GNMZJIMJGUWOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-14-3-5-15(6-4-14,21-9-20-2)10-11(18-19-12(10)14)13-16-7-8-17-13/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene?
5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene has a molecular weight of 288.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-7-(methoxymethoxy)-1-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene is sourced from PubChem (CID 136756516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).