14-imidazol-1-yl-3-methyl-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

C16H15F3N8 — CID 67498360

IUPAC14-imidazol-1-yl-3-methyl-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
SMILESCc1nnc2n1-c1cnc(-n3ccnc3)nc1N1CCCC21CC(F)(F)F
InChIInChI=1S/C16H15F3N8/c1-10-23-24-13-15(8-16(17,18)19)3-2-5-26(15)12-11(27(10)13)7-21-14(22-12)25-6-4-20-9-25/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyFBASBWVIXMEAOJ-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.31
Rot. Bonds2

About 14-imidazol-1-yl-3-methyl-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-3-methyl-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 67498360) has the molecular formula C16H15F3N8 and a molecular weight of 376.35 g/mol. Its IUPAC name is 14-imidazol-1-yl-3-methyl-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-3-methyl-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 CID67498360
Molecular FormulaC16H15F3N8
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC Name14-imidazol-1-yl-3-methyl-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
SMILESCc1nnc2n1-c1cnc(-n3ccnc3)nc1N1CCCC21CC(F)(F)F
InChIInChI=1S/C16H15F3N8/c1-10-23-24-13-15(8-16(17,18)19)3-2-5-26(15)12-11(27(10)13)7-21-14(22-12)25-6-4-20-9-25/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyFBASBWVIXMEAOJ-UHFFFAOYSA-N
XLogP2.31
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-imidazol-1-yl-3-methyl-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-3-methyl-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-3-methyl-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 67498360) is 14-imidazol-1-yl-3-methyl-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-3-methyl-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-3-methyl-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 Cc1nnc2n1-c1cnc(-n3ccnc3)nc1N1CCCC21CC(F)(F)F.
What is the InChIKey of 14-imidazol-1-yl-3-methyl-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 FBASBWVIXMEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N8/c1-10-23-24-13-15(8-16(17,18)19)3-2-5-26(15)12-11(27(10)13)7-21-14(22-12)25-6-4-20-9-25/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 14-imidazol-1-yl-3-methyl-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-3-methyl-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 376.35 g/mol, XLogP of 2.31, 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-3-methyl-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 67498360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).