7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]

C14H14N8 — CID 10780125

IUPAC7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]
SMILESc1cn(-c2cc3nnnn3c3c2=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C14H14N8/c1-2-4-14(5-3-1)16-12-10(21-7-6-15-9-21)8-11-18-19-20-22(11)13(12)17-14/h6-9H,1-5H2
InChIKeyLWMJXTKJTHKKFD-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.22
Rot. Bonds1

About 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]

7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane] (PubChem CID 10780125) has the molecular formula C14H14N8 and a molecular weight of 294.32 g/mol. Its IUPAC name is 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane].

Molecular Properties

Compound Name7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]
PubChem CID10780125
Molecular FormulaC14H14N8
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]
SMILESc1cn(-c2cc3nnnn3c3c2=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C14H14N8/c1-2-4-14(5-3-1)16-12-10(21-7-6-15-9-21)8-11-18-19-20-22(11)13(12)17-14/h6-9H,1-5H2
InChIKeyLWMJXTKJTHKKFD-UHFFFAOYSA-N
XLogP0.22
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]?
The IUPAC name of 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane] (CID 10780125) is 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane].
What is the SMILES notation for 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]?
The canonical SMILES for 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane] is c1cn(-c2cc3nnnn3c3c2=NC2(CCCCC2)N=3)cn1.
What is the InChIKey of 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]?
The InChIKey is LWMJXTKJTHKKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8/c1-2-4-14(5-3-1)16-12-10(21-7-6-15-9-21)8-11-18-19-20-22(11)13(12)17-14/h6-9H,1-5H2.
What are the key properties of 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]?
7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane] has a molecular weight of 294.32 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane] is sourced from PubChem (CID 10780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).