2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene

C104H114N18O3 — CID 159104752

IUPAC2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene
SMILESCOc1ccc2c(c1C)n(C)c1nccn21.COc1ccc2ccn(C)c2c1C.COc1ccc2nc(-c3c(C(C)C)cccc3C(C)C)n(C)c2c1C.Cc1c2c(cc3c1n(C)c1nccn31)c1ccccc1n2C.Cc1c2c(cc3c1n(C)c1nccn31)ncn2C.Cc1c2c(cc3c4ccccc4n(C)c13)nc(-c1c(C(C)C)cccc1C(C)C)n2C
InChIInChI=1S/C28H31N3.C22H28N2O.C18H16N4.C13H13N5.C12H13N3O.C11H13NO/c1-16(2)19-12-10-13-20(17(3)4)25(19)28-29-23-15-22-21-11-8-9-14-24(21)30(6)26(22)18(5)27(23)31(28)7;1-13(2)16-9-8-10-17(14(3)4)20(16)22-23-18-11-12-19(25-7)15(5)21(18)24(22)6;1-11-16-13(12-6-4-5-7-14(12)20(16)2)10-15-17(11)21(3)18-19-8-9-22(15)18;1-8-11-9(15-7-16(11)2)6-10-12(8)17(3)13-14-4-5-18(10)13;1-8-10(16-3)5-4-9-11(8)14(2)12-13-6-7-15(9)12;1-8-10(13-3)5-4-9-6-7-12(2)11(8)9/h8-17H,1-7H3;8-14H,1-7H3;4-10H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyKDSSSUBJGIBCRH-UHFFFAOYSA-N
MW1664.18 g/mol
LogP23.68
Rot. Bonds9

About 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene

2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene (PubChem CID 159104752) has the molecular formula C104H114N18O3 and a molecular weight of 1664.18 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene
PubChem CID159104752
Molecular FormulaC104H114N18O3
Molecular Weight1664.18 g/mol
Exact Mass1662.93
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene
SMILESCOc1ccc2c(c1C)n(C)c1nccn21.COc1ccc2ccn(C)c2c1C.COc1ccc2nc(-c3c(C(C)C)cccc3C(C)C)n(C)c2c1C.Cc1c2c(cc3c1n(C)c1nccn31)c1ccccc1n2C.Cc1c2c(cc3c1n(C)c1nccn31)ncn2C.Cc1c2c(cc3c4ccccc4n(C)c13)nc(-c1c(C(C)C)cccc1C(C)C)n2C
InChIInChI=1S/C28H31N3.C22H28N2O.C18H16N4.C13H13N5.C12H13N3O.C11H13NO/c1-16(2)19-12-10-13-20(17(3)4)25(19)28-29-23-15-22-21-11-8-9-14-24(21)30(6)26(22)18(5)27(23)31(28)7;1-13(2)16-9-8-10-17(14(3)4)20(16)22-23-18-11-12-19(25-7)15(5)21(18)24(22)6;1-11-16-13(12-6-4-5-7-14(12)20(16)2)10-15-17(11)21(3)18-19-8-9-22(15)18;1-8-11-9(15-7-16(11)2)6-10-12(8)17(3)13-14-4-5-18(10)13;1-8-10(16-3)5-4-9-11(8)14(2)12-13-6-7-15(9)12;1-8-10(13-3)5-4-9-6-7-12(2)11(8)9/h8-17H,1-7H3;8-14H,1-7H3;4-10H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyKDSSSUBJGIBCRH-UHFFFAOYSA-N
XLogP23.68
TPSA162.63 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.18
LogP ≤ 523.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene (CID 159104752) is 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene is COc1ccc2c(c1C)n(C)c1nccn21.COc1ccc2ccn(C)c2c1C.COc1ccc2nc(-c3c(C(C)C)cccc3C(C)C)n(C)c2c1C.Cc1c2c(cc3c1n(C)c1nccn31)c1ccccc1n2C.Cc1c2c(cc3c1n(C)c1nccn31)ncn2C.Cc1c2c(cc3c4ccccc4n(C)c13)nc(-c1c(C(C)C)cccc1C(C)C)n2C.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene?
The InChIKey is KDSSSUBJGIBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3.C22H28N2O.C18H16N4.C13H13N5.C12H13N3O.C11H13NO/c1-16(2)19-12-10-13-20(17(3)4)25(19)28-29-23-15-22-21-11-8-9-14-24(21)30(6)26(22)18(5)27(23)31(28)7;1-13(2)16-9-8-10-17(14(3)4)20(16)22-23-18-11-12-19(25-7)15(5)21(18)24(22)6;1-11-16-13(12-6-4-5-7-14(12)20(16)2)10-15-17(11)21(3)18-19-8-9-22(15)18;1-8-11-9(15-7-16(11)2)6-10-12(8)17(3)13-14-4-5-18(10)13;1-8-10(16-3)5-4-9-11(8)14(2)12-13-6-7-15(9)12;1-8-10(13-3)5-4-9-6-7-12(2)11(8)9/h8-17H,1-7H3;8-14H,1-7H3;4-10H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene?
2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene has a molecular weight of 1664.18 g/mol, XLogP of 23.68, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-6-methoxy-1,7-dimethylbenzimidazole;2-[2,6-di(propan-2-yl)phenyl]-1,9,10-trimethylimidazo[4,5-b]carbazole;6-methoxy-4,5-dimethylimidazo[1,2-a]benzimidazole;6-methoxy-1,7-dimethylindole;2,4,15-trimethyl-4,6,10,13,15-pentazatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,11,13-hexaene;9,11,13-trimethyl-4,7,9,13-tetrazapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),5,7,11,14,16,18-octaene is sourced from PubChem (CID 159104752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).