14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

C15H13F3N8 — CID 66979835

IUPAC14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESFC(F)(F)CC12CCCN1c1nc(-n3ccnc3)ncc1-n1cnnc12
InChIInChI=1S/C15H13F3N8/c16-15(17,18)7-14-2-1-4-26(14)11-10(25-9-21-23-12(14)25)6-20-13(22-11)24-5-3-19-8-24/h3,5-6,8-9H,1-2,4,7H2
InChIKeySQGQKJHDCARBFO-UHFFFAOYSA-N
MW362.32 g/mol
LogP2.00
Rot. Bonds2

About 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (PubChem CID 66979835) has the molecular formula C15H13F3N8 and a molecular weight of 362.32 g/mol. Its IUPAC name is 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene.

Molecular Properties

Compound Name14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
PubChem CID66979835
Molecular FormulaC15H13F3N8
Molecular Weight362.32 g/mol
Exact Mass362.12
IUPAC Name14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESFC(F)(F)CC12CCCN1c1nc(-n3ccnc3)ncc1-n1cnnc12
InChIInChI=1S/C15H13F3N8/c16-15(17,18)7-14-2-1-4-26(14)11-10(25-9-21-23-12(14)25)6-20-13(22-11)24-5-3-19-8-24/h3,5-6,8-9H,1-2,4,7H2
InChIKeySQGQKJHDCARBFO-UHFFFAOYSA-N
XLogP2.00
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The IUPAC name of 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (CID 66979835) is 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene.
What is the SMILES notation for 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The canonical SMILES for 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is FC(F)(F)CC12CCCN1c1nc(-n3ccnc3)ncc1-n1cnnc12.
What is the InChIKey of 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The InChIKey is SQGQKJHDCARBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N8/c16-15(17,18)7-14-2-1-4-26(14)11-10(25-9-21-23-12(14)25)6-20-13(22-11)24-5-3-19-8-24/h3,5-6,8-9H,1-2,4,7H2.
What are the key properties of 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene has a molecular weight of 362.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-imidazol-1-yl-7-(2,2,2-trifluoroethyl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is sourced from PubChem (CID 66979835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).