7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

C17H20N8 — CID 77304061

IUPAC7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESCCC1CCC2(CC)c3nncn3-c3cnc(-n4ccnc4)nc3N12
InChIInChI=1S/C17H20N8/c1-3-12-5-6-17(4-2)15-22-20-11-24(15)13-9-19-16(21-14(13)25(12)17)23-8-7-18-10-23/h7-12H,3-6H2,1-2H3
InChIKeyOIFLHVXXUXIKDY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.24
Rot. Bonds3

About 7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (PubChem CID 77304061) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 7,10-diethyl-14-imidazol-1-yl-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 Name7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
PubChem CID77304061
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESCCC1CCC2(CC)c3nncn3-c3cnc(-n4ccnc4)nc3N12
InChIInChI=1S/C17H20N8/c1-3-12-5-6-17(4-2)15-22-20-11-24(15)13-9-19-16(21-14(13)25(12)17)23-8-7-18-10-23/h7-12H,3-6H2,1-2H3
InChIKeyOIFLHVXXUXIKDY-UHFFFAOYSA-N
XLogP2.24
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7,10-diethyl-14-imidazol-1-yl-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 7,10-diethyl-14-imidazol-1-yl-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 7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (CID 77304061) is 7,10-diethyl-14-imidazol-1-yl-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 7,10-diethyl-14-imidazol-1-yl-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 7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is CCC1CCC2(CC)c3nncn3-c3cnc(-n4ccnc4)nc3N12.
What is the InChIKey of 7,10-diethyl-14-imidazol-1-yl-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 OIFLHVXXUXIKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-3-12-5-6-17(4-2)15-22-20-11-24(15)13-9-19-16(21-14(13)25(12)17)23-8-7-18-10-23/h7-12H,3-6H2,1-2H3.
What are the key properties of 7,10-diethyl-14-imidazol-1-yl-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
7,10-diethyl-14-imidazol-1-yl-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 336.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diethyl-14-imidazol-1-yl-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 77304061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).