5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline

C133H166N20O3 — CID 159552673

IUPAC5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline
SMILESCC(C)c1ccc2c(c1)C(C)(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)[nH]c(=O)c1[nH]c(C(C)C)nc12.CC(C)c1ccc2c(c1)c(=O)[nH]c1nc(C(C)C)[nH]c12.CC(C)c1ccc2c(cnc3nc(C(C)C)[nH]c32)c1.CC(C)c1nc2c([nH]1)CCc1c-2cccc1C(C)C.CC(C)c1nc2ncc3c(C(C)C)cccc3c2[nH]1
InChIInChI=1S/C19H26N2.2C17H22N2.2C16H19N3O.2C16H19N3.C16H20N2O/c1-11(2)13-7-8-14-15(9-13)19(5,6)10-16-17(14)21-18(20-16)12(3)4;1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-10(2)12-6-5-7-14-13(12)8-9-15-16(14)19-17(18-15)11(3)4;1-8(2)10-5-6-11-12(7-10)17-16(20)14-13(11)18-15(19-14)9(3)4;1-8(2)10-5-6-11-12(7-10)16(20)19-15-13(11)17-14(18-15)9(3)4;1-9(2)11-5-6-13-12(7-11)8-17-16-14(13)18-15(19-16)10(3)4;1-9(2)11-6-5-7-12-13(11)8-17-16-14(12)18-15(19-16)10(3)4;1-9(2)11-5-6-12-14(7-11)19-8-13-15(12)18-16(17-13)10(3)4/h7-9,11-12H,10H2,1-6H3,(H,20,21);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-7,10-11H,8-9H2,1-4H3,(H,18,19);5-9H,1-4H3,(H,17,20)(H,18,19);5-9H,1-4H3,(H2,17,18,19,20);2*5-10H,1-4H3,(H,17,18,19);5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyMFOYQQFVXLEHQP-UHFFFAOYSA-N
MW2092.93 g/mol
LogP34.24
Rot. Bonds16

About 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline

5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline (PubChem CID 159552673) has the molecular formula C133H166N20O3 and a molecular weight of 2092.93 g/mol. Its IUPAC name is 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline.

Molecular Properties

Compound Name5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline
PubChem CID159552673
Molecular FormulaC133H166N20O3
Molecular Weight2092.93 g/mol
Exact Mass2091.35
IUPAC Name5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline
SMILESCC(C)c1ccc2c(c1)C(C)(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)[nH]c(=O)c1[nH]c(C(C)C)nc12.CC(C)c1ccc2c(c1)c(=O)[nH]c1nc(C(C)C)[nH]c12.CC(C)c1ccc2c(cnc3nc(C(C)C)[nH]c32)c1.CC(C)c1nc2c([nH]1)CCc1c-2cccc1C(C)C.CC(C)c1nc2ncc3c(C(C)C)cccc3c2[nH]1
InChIInChI=1S/C19H26N2.2C17H22N2.2C16H19N3O.2C16H19N3.C16H20N2O/c1-11(2)13-7-8-14-15(9-13)19(5,6)10-16-17(14)21-18(20-16)12(3)4;1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-10(2)12-6-5-7-14-13(12)8-9-15-16(14)19-17(18-15)11(3)4;1-8(2)10-5-6-11-12(7-10)17-16(20)14-13(11)18-15(19-14)9(3)4;1-8(2)10-5-6-11-12(7-10)16(20)19-15-13(11)17-14(18-15)9(3)4;1-9(2)11-5-6-13-12(7-11)8-17-16-14(13)18-15(19-16)10(3)4;1-9(2)11-6-5-7-12-13(11)8-17-16-14(12)18-15(19-16)10(3)4;1-9(2)11-5-6-12-14(7-11)19-8-13-15(12)18-16(17-13)10(3)4/h7-9,11-12H,10H2,1-6H3,(H,20,21);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-7,10-11H,8-9H2,1-4H3,(H,18,19);5-9H,1-4H3,(H,17,20)(H,18,19);5-9H,1-4H3,(H2,17,18,19,20);2*5-10H,1-4H3,(H,17,18,19);5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyMFOYQQFVXLEHQP-UHFFFAOYSA-N
XLogP34.24
TPSA330.17 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002092.93
LogP ≤ 534.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline?
The IUPAC name of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline (CID 159552673) is 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline.
What is the SMILES notation for 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline?
The canonical SMILES for 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline is CC(C)c1ccc2c(c1)C(C)(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)[nH]c(=O)c1[nH]c(C(C)C)nc12.CC(C)c1ccc2c(c1)c(=O)[nH]c1nc(C(C)C)[nH]c12.CC(C)c1ccc2c(cnc3nc(C(C)C)[nH]c32)c1.CC(C)c1nc2c([nH]1)CCc1c-2cccc1C(C)C.CC(C)c1nc2ncc3c(C(C)C)cccc3c2[nH]1.
What is the InChIKey of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline?
The InChIKey is MFOYQQFVXLEHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.2C17H22N2.2C16H19N3O.2C16H19N3.C16H20N2O/c1-11(2)13-7-8-14-15(9-13)19(5,6)10-16-17(14)21-18(20-16)12(3)4;1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-10(2)12-6-5-7-14-13(12)8-9-15-16(14)19-17(18-15)11(3)4;1-8(2)10-5-6-11-12(7-10)17-16(20)14-13(11)18-15(19-14)9(3)4;1-8(2)10-5-6-11-12(7-10)16(20)19-15-13(11)17-14(18-15)9(3)4;1-9(2)11-5-6-13-12(7-11)8-17-16-14(13)18-15(19-16)10(3)4;1-9(2)11-6-5-7-12-13(11)8-17-16-14(12)18-15(19-16)10(3)4;1-9(2)11-5-6-12-14(7-11)19-8-13-15(12)18-16(17-13)10(3)4/h7-9,11-12H,10H2,1-6H3,(H,20,21);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-7,10-11H,8-9H2,1-4H3,(H,18,19);5-9H,1-4H3,(H,17,20)(H,18,19);5-9H,1-4H3,(H2,17,18,19,20);2*5-10H,1-4H3,(H,17,18,19);5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline?
5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline has a molecular weight of 2092.93 g/mol, XLogP of 34.24, 16 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,6-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-3,4-dihydrochromeno[3,4-d]imidazole;2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one;2,7-di(propan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one;2,6-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline;2,7-di(propan-2-yl)-1H-imidazo[4,5-c]isoquinoline is sourced from PubChem (CID 159552673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).