4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C132H144Cl3F8N33S — CID 157139457

About 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 157139457) has the molecular formula C132H144Cl3F8N33S and a molecular weight of 2483.24 g/mol. Its IUPAC name is 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
• PubChem CID: 157139457
• Molecular Formula: C132H144Cl3F8N33S
• Molecular Weight: 2483.24 g/mol
• Exact Mass: 2480.09
• IUPAC Name: 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
• SMILES: CN1CCC2=C(Cc3cc(F)ccc32)C1.CN1CCc2c(nc3cc(Cl)ccn23)C1.CN1CCc2c(nc3cc(F)ccn23)C1.CN1CCc2c(nc3cc(F)ccn23)C1.CN1CCc2c(nn3cc(F)ccc23)C1.CN1CCc2c(nn3cc(F)ccc23)C1.CN1CCn2c(cc3cc(Cl)sc32)C1.CN1CCn2c(nc3cc(F)ccc32)C1.CN1CCn2c(nc3cc(F)ccc32)C1.CN1CCn2c(nc3ccc(F)cc32)C1.CN1CCn2c(nc3ccccc32)C1.CN1Cc2nc3cc(Cl)ccn3c2C1
• InChI: InChI=1S/C13H14FN.C11H12ClN3.7C11H12FN3.C11H13N3.C10H10ClN3.C10H11ClN2S/c1-15-5-4-13-10(8-15)6-9-7-11(14)2-3-12(9)13;3*1-14-4-3-10-9(7-14)13-11-6-8(12)2-5-15(10)11;2*1-14-4-5-15-10-3-2-8(12)6-9(10)13-11(15)7-14;2*1-14-5-4-9-10(7-14)13-15-6-8(12)2-3-11(9)15;1-14-4-5-15-10-6-8(12)2-3-9(10)13-11(15)7-14;1-13-6-7-14-10-5-3-2-4-9(10)12-11(14)8-13;1-13-5-8-9(6-13)14-3-2-7(11)4-10(14)12-8;1-12-2-3-13-8(6-12)4-7-5-9(11)14-10(7)13/h2-3,7H,4-6,8H2,1H3;3*2,5-6H,3-4,7H2,1H3;5*2-3,6H,4-5,7H2,1H3;2-5H,6-8H2,1H3;2-4H,5-6H2,1H3;4-5H,2-3,6H2,1H3
• InChIKey: AKAFIUJWAYZJLW-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 218.89 Ų
• H-Bond Acceptors: 34
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2483.24
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?

The IUPAC name of 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 157139457) is 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

What is the SMILES notation for 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?

The canonical SMILES for 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is CN1CCC2=C(Cc3cc(F)ccc32)C1.CN1CCc2c(nc3cc(Cl)ccn23)C1.CN1CCc2c(nc3cc(F)ccn23)C1.CN1CCc2c(nc3cc(F)ccn23)C1.CN1CCc2c(nn3cc(F)ccc23)C1.CN1CCc2c(nn3cc(F)ccc23)C1.CN1CCn2c(cc3cc(Cl)sc32)C1.CN1CCn2c(nc3cc(F)ccc32)C1.CN1CCn2c(nc3cc(F)ccc32)C1.CN1CCn2c(nc3ccc(F)cc32)C1.CN1CCn2c(nc3ccccc32)C1.CN1Cc2nc3cc(Cl)ccn3c2C1.

What is the InChIKey of 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?

The InChIKey is AKAFIUJWAYZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN.C11H12ClN3.7C11H12FN3.C11H13N3.C10H10ClN3.C10H11ClN2S/c1-15-5-4-13-10(8-15)6-9-7-11(14)2-3-12(9)13;3*1-14-4-3-10-9(7-14)13-11-6-8(12)2-5-15(10)11;2*1-14-4-5-15-10-3-2-8(12)6-9(10)13-11(15)7-14;2*1-14-5-4-9-10(7-14)13-15-6-8(12)2-3-11(9)15;1-14-4-5-15-10-6-8(12)2-3-9(10)13-11(15)7-14;1-13-6-7-14-10-5-3-2-4-9(10)12-11(14)8-13;1-13-5-8-9(6-13)14-3-2-7(11)4-10(14)12-8;1-12-2-3-13-8(6-12)4-7-5-9(11)14-10(7)13/h2-3,7H,4-6,8H2,1H3;3*2,5-6H,3-4,7H2,1H3;5*2-3,6H,4-5,7H2,1H3;2-5H,6-8H2,1H3;2-4H,5-6H2,1H3;4-5H,2-3,6H2,1H3.

What are the key properties of 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?

4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 2483.24 g/mol, XLogP of 21.37, 0 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-10-methyl-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene;10-chloro-4-methyl-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene;11-chloro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene;7-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;bis(8-fluoro-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);7-fluoro-2-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;bis(11-fluoro-5-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene);bis(11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene);2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 157139457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).