6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine

C25H20N6 — CID 146518290

IUPAC6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine
SMILESCCc1ncc(-c2ccc3c4ccc(-c5cnc(C)[nH]5)cc4c4nccnc4c3c2)[nH]1
InChIInChI=1S/C25H20N6/c1-3-23-29-13-22(31-23)16-5-7-18-17-6-4-15(21-12-28-14(2)30-21)10-19(17)24-25(20(18)11-16)27-9-8-26-24/h4-13H,3H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyVTCLHUNNGMFTBX-UHFFFAOYSA-N
MW404.48 g/mol
LogP5.59
Rot. Bonds3

About 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine

6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine (PubChem CID 146518290) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine
PubChem CID146518290
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine
SMILESCCc1ncc(-c2ccc3c4ccc(-c5cnc(C)[nH]5)cc4c4nccnc4c3c2)[nH]1
InChIInChI=1S/C25H20N6/c1-3-23-29-13-22(31-23)16-5-7-18-17-6-4-15(21-12-28-14(2)30-21)10-19(17)24-25(20(18)11-16)27-9-8-26-24/h4-13H,3H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyVTCLHUNNGMFTBX-UHFFFAOYSA-N
XLogP5.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine (CID 146518290) is 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine is CCc1ncc(-c2ccc3c4ccc(-c5cnc(C)[nH]5)cc4c4nccnc4c3c2)[nH]1.
What is the InChIKey of 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is VTCLHUNNGMFTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c1-3-23-29-13-22(31-23)16-5-7-18-17-6-4-15(21-12-28-14(2)30-21)10-19(17)24-25(20(18)11-16)27-9-8-26-24/h4-13H,3H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine?
6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 404.48 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 146518290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).