15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

C22H22N8O — CID 123674276

IUPAC15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
SMILESCC(C)C12COCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1-n1cnnc12
InChIInChI=1S/C22H22N8O/c1-15(2)22-13-31-11-10-30(22)19-17(29-14-25-27-20(22)29)12-24-21(26-19)28-9-8-23-18(28)16-6-4-3-5-7-16/h3-9,12,14-15H,10-11,13H2,1-2H3
InChIKeyCRJLFFIEVVNBMC-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.61
Rot. Bonds3

About 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene (PubChem CID 123674276) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene.

Molecular Properties

Compound Name15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
PubChem CID123674276
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
SMILESCC(C)C12COCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1-n1cnnc12
InChIInChI=1S/C22H22N8O/c1-15(2)22-13-31-11-10-30(22)19-17(29-14-25-27-20(22)29)12-24-21(26-19)28-9-8-23-18(28)16-6-4-3-5-7-16/h3-9,12,14-15H,10-11,13H2,1-2H3
InChIKeyCRJLFFIEVVNBMC-UHFFFAOYSA-N
XLogP2.61
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The IUPAC name of 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene (CID 123674276) is 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene.
What is the SMILES notation for 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The canonical SMILES for 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene is CC(C)C12COCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1-n1cnnc12.
What is the InChIKey of 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The InChIKey is CRJLFFIEVVNBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-15(2)22-13-31-11-10-30(22)19-17(29-14-25-27-20(22)29)12-24-21(26-19)28-9-8-23-18(28)16-6-4-3-5-7-16/h3-9,12,14-15H,10-11,13H2,1-2H3.
What are the key properties of 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene has a molecular weight of 414.47 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene is sourced from PubChem (CID 123674276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).