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

C121H157N15O2 — CID 157377510

IUPAC2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine
SMILESCC(C)c1ccc2c(c1)CCCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CN(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)C)nc1CC2.CC(C)c1ccc2c(c1)OCCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1
InChIInChI=1S/C18H25N3.2C18H24N2.C17H22N2O.C17H22N2.C17H20N2.C16H20N2O/c1-11(2)13-6-7-15-14(8-13)9-21(5)10-16-17(15)20-18(19-16)12(3)4;1-11(2)14-6-5-13-7-8-16-17(10-15(13)9-14)20-18(19-16)12(3)4;1-11(2)13-8-9-15-14(10-13)6-5-7-16-17(15)20-18(19-16)12(3)4;1-10(2)12-5-6-13-15(9-12)20-8-7-14-16(13)19-17(18-14)11(3)4;2*1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-9(2)11-5-6-12-14(7-11)19-8-13-15(12)18-16(17-13)10(3)4/h6-8,11-12H,9-10H2,1-5H3,(H,19,20);5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,20);8-12H,5-7H2,1-4H3,(H,19,20);5-6,9-11H,7-8H2,1-4H3,(H,18,19);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,18,19);5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyBKMKHRTZCABHRL-UHFFFAOYSA-N
MW1853.69 g/mol
LogP31.29
Rot. Bonds14

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

2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine (PubChem CID 157377510) has the molecular formula C121H157N15O2 and a molecular weight of 1853.69 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine
PubChem CID157377510
Molecular FormulaC121H157N15O2
Molecular Weight1853.69 g/mol
Exact Mass1852.26
IUPAC Name2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine
SMILESCC(C)c1ccc2c(c1)CCCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CN(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)C)nc1CC2.CC(C)c1ccc2c(c1)OCCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1
InChIInChI=1S/C18H25N3.2C18H24N2.C17H22N2O.C17H22N2.C17H20N2.C16H20N2O/c1-11(2)13-6-7-15-14(8-13)9-21(5)10-16-17(15)20-18(19-16)12(3)4;1-11(2)14-6-5-13-7-8-16-17(10-15(13)9-14)20-18(19-16)12(3)4;1-11(2)13-8-9-15-14(10-13)6-5-7-16-17(15)20-18(19-16)12(3)4;1-10(2)12-5-6-13-15(9-12)20-8-7-14-16(13)19-17(18-14)11(3)4;2*1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-9(2)11-5-6-12-14(7-11)19-8-13-15(12)18-16(17-13)10(3)4/h6-8,11-12H,9-10H2,1-5H3,(H,19,20);5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,20);8-12H,5-7H2,1-4H3,(H,19,20);5-6,9-11H,7-8H2,1-4H3,(H,18,19);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,18,19);5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyBKMKHRTZCABHRL-UHFFFAOYSA-N
XLogP31.29
TPSA222.46 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.69
LogP ≤ 531.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine?
The IUPAC name of 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine (CID 157377510) is 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine.
What is the SMILES notation for 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine?
The canonical SMILES for 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine is CC(C)c1ccc2c(c1)CCCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CN(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)C)nc1CC2.CC(C)c1ccc2c(c1)OCCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1.
What is the InChIKey of 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine?
The InChIKey is BKMKHRTZCABHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.2C18H24N2.C17H22N2O.C17H22N2.C17H20N2.C16H20N2O/c1-11(2)13-6-7-15-14(8-13)9-21(5)10-16-17(15)20-18(19-16)12(3)4;1-11(2)14-6-5-13-7-8-16-17(10-15(13)9-14)20-18(19-16)12(3)4;1-11(2)13-8-9-15-14(10-13)6-5-7-16-17(15)20-18(19-16)12(3)4;1-10(2)12-5-6-13-15(9-12)20-8-7-14-16(13)19-17(18-14)11(3)4;2*1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-9(2)11-5-6-12-14(7-11)19-8-13-15(12)18-16(17-13)10(3)4/h6-8,11-12H,9-10H2,1-5H3,(H,19,20);5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,20);8-12H,5-7H2,1-4H3,(H,19,20);5-6,9-11H,7-8H2,1-4H3,(H,18,19);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,18,19);5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine?
2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine has a molecular weight of 1853.69 g/mol, XLogP of 31.29, 14 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;4,12-di(propan-2-yl)-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;5,13-di(propan-2-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,8-di(propan-2-yl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;5-methyl-2,8-di(propan-2-yl)-4,6-dihydro-3H-imidazo[4,5-d][2]benzazepine is sourced from PubChem (CID 157377510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).