2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole

C123H163N13O2 — CID 158948381

About 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole

2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole (PubChem CID 158948381) has the molecular formula C123H163N13O2 and a molecular weight of 1855.75 g/mol. Its IUPAC name is 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole.

Molecular Properties

• Compound Name: 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole
• PubChem CID: 158948381
• Molecular Formula: C123H163N13O2
• Molecular Weight: 1855.75 g/mol
• Exact Mass: 1854.31
• IUPAC Name: 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole
• SMILES: CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)CCCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)(C)C)nc1CC2.CC(C)c1ccc2c(c1)OCCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)(C)C)nc32)c1
• InChI: InChI=1S/2C19H26N2.C18H24N2O.C18H24N2.C18H22N2.C17H22N2O.C14H19N/c1-12(2)14-7-6-13-8-9-16-17(11-15(13)10-14)21-18(20-16)19(3,4)5;1-12(2)13-9-10-15-14(11-13)7-6-8-16-17(15)21-18(20-16)19(3,4)5;1-11(2)12-6-7-13-15(10-12)21-9-8-14-16(13)20-17(19-14)18(3,4)5;2*1-11(2)12-6-8-14-13(10-12)7-9-15-16(14)20-17(19-15)18(3,4)5;1-10(2)11-6-7-12-14(8-11)20-9-13-15(12)19-16(18-13)17(3,4)5;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21);9-12H,6-8H2,1-5H3,(H,20,21);6-7,10-11H,8-9H2,1-5H3,(H,19,20);6,8,10-11H,7,9H2,1-5H3,(H,19,20);6-11H,1-5H3,(H,19,20);6-8,10H,9H2,1-5H3,(H,18,19);5-10,15H,1-4H3
• InChIKey: JLCPTBXLOQKRBE-UHFFFAOYSA-N
• XLogP: 32.48
• TPSA: 206.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.75
LogP ≤ 5	32.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole?

The IUPAC name of 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole (CID 158948381) is 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole.

What is the SMILES notation for 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole?

The canonical SMILES for 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole is CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)CCCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)(C)C)nc1CC2.CC(C)c1ccc2c(c1)OCCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)(C)C)nc32)c1.

What is the InChIKey of 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole?

The InChIKey is JLCPTBXLOQKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H26N2.C18H24N2O.C18H24N2.C18H22N2.C17H22N2O.C14H19N/c1-12(2)14-7-6-13-8-9-16-17(11-15(13)10-14)21-18(20-16)19(3,4)5;1-12(2)13-9-10-15-14(11-13)7-6-8-16-17(15)21-18(20-16)19(3,4)5;1-11(2)12-6-7-13-15(10-12)21-9-8-14-16(13)20-17(19-14)18(3,4)5;2*1-11(2)12-6-8-14-13(10-12)7-9-15-16(14)20-17(19-15)18(3,4)5;1-10(2)11-6-7-12-14(8-11)20-9-13-15(12)19-16(18-13)17(3,4)5;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21);9-12H,6-8H2,1-5H3,(H,20,21);6-7,10-11H,8-9H2,1-5H3,(H,19,20);6,8,10-11H,7,9H2,1-5H3,(H,19,20);6-11H,1-5H3,(H,19,20);6-8,10H,9H2,1-5H3,(H,18,19);5-10,15H,1-4H3.

What are the key properties of 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole?

2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole has a molecular weight of 1855.75 g/mol, XLogP of 32.48, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7-propan-2-yl-3H-benzo[e]benzimidazole;4-tert-butyl-12-propan-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2-tert-butyl-7-propan-2-yl-4,5-dihydro-3H-benzo[e]benzimidazole;2-tert-butyl-8-propan-2-yl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2-tert-butyl-7-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole;3,6-di(propan-2-yl)-1H-indole is sourced from PubChem (CID 158948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).