2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole

C138H126N26O4S4 — CID 158785674

IUPAC2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCc1nc2cc3nc(-c4cc(C)c(C)cc4C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(C)c(C)cc4C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(C)c(C)nc4C)oc3cc2o1.Cc1nc2cc3nc(-c4ccc(C)c(C)c4)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4ccc(C)c(C)c4)oc3cc2o1.Cc1nc2cc3sc(-c4cc(C)c(C)cc4C)nc3cc2s1.Cc1nc2cc3sc(-c4ccc(C)c(C)c4)nc3cc2s1.Cc1nc2nc3nc(-c4ccc(C)c(C)c4)[nH]c3cc2[nH]1
InChIInChI=1S/2C18H18N4.C18H16N2S2.C17H16N4.C17H15N3O2.C17H14N2O2.C17H14N2S2.C16H15N5/c2*1-9-5-11(3)13(6-10(9)2)18-21-16-7-14-15(8-17(16)22-18)20-12(4)19-14;1-9-5-11(3)13(6-10(9)2)18-20-15-8-16-14(7-17(15)22-18)19-12(4)21-16;1-9-4-5-12(6-10(9)2)17-20-15-7-13-14(8-16(15)21-17)19-11(3)18-13;1-8-5-12(10(3)18-9(8)2)17-20-14-6-13-15(7-16(14)22-17)21-11(4)19-13;1-9-4-5-12(6-10(9)2)17-19-14-7-13-15(8-16(14)21-17)20-11(3)18-13;1-9-4-5-12(6-10(9)2)17-19-14-8-15-13(7-16(14)21-17)18-11(3)20-15;1-8-4-5-11(6-9(8)2)14-19-13-7-12-15(18-10(3)17-12)21-16(13)20-14/h2*5-8H,1-4H3,(H,19,20)(H,21,22);5-8H,1-4H3;4-8H,1-3H3,(H,18,19)(H,20,21);5-7H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3,(H2,17,18,19,20,21)
InChIKeyIRQONNNHSUNPNL-UHFFFAOYSA-N
MW2340.97 g/mol
LogP36.27
Rot. Bonds8

About 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole

2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole (PubChem CID 158785674) has the molecular formula C138H126N26O4S4 and a molecular weight of 2340.97 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole
PubChem CID158785674
Molecular FormulaC138H126N26O4S4
Molecular Weight2340.97 g/mol
Exact Mass2338.93
IUPAC Name2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCc1nc2cc3nc(-c4cc(C)c(C)cc4C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(C)c(C)cc4C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(C)c(C)nc4C)oc3cc2o1.Cc1nc2cc3nc(-c4ccc(C)c(C)c4)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4ccc(C)c(C)c4)oc3cc2o1.Cc1nc2cc3sc(-c4cc(C)c(C)cc4C)nc3cc2s1.Cc1nc2cc3sc(-c4ccc(C)c(C)c4)nc3cc2s1.Cc1nc2nc3nc(-c4ccc(C)c(C)c4)[nH]c3cc2[nH]1
InChIInChI=1S/2C18H18N4.C18H16N2S2.C17H16N4.C17H15N3O2.C17H14N2O2.C17H14N2S2.C16H15N5/c2*1-9-5-11(3)13(6-10(9)2)18-21-16-7-14-15(8-17(16)22-18)20-12(4)19-14;1-9-5-11(3)13(6-10(9)2)18-20-15-8-16-14(7-17(15)22-18)19-12(4)21-16;1-9-4-5-12(6-10(9)2)17-20-15-7-13-14(8-16(15)21-17)19-11(3)18-13;1-8-5-12(10(3)18-9(8)2)17-20-14-6-13-15(7-16(14)22-17)21-11(4)19-13;1-9-4-5-12(6-10(9)2)17-19-14-7-13-15(8-16(14)21-17)20-11(3)18-13;1-9-4-5-12(6-10(9)2)17-19-14-8-15-13(7-16(14)21-17)18-11(3)20-15;1-8-4-5-11(6-9(8)2)14-19-13-7-12-15(18-10(3)17-12)21-16(13)20-14/h2*5-8H,1-4H3,(H,19,20)(H,21,22);5-8H,1-4H3;4-8H,1-3H3,(H,18,19)(H,20,21);5-7H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3,(H2,17,18,19,20,21)
InChIKeyIRQONNNHSUNPNL-UHFFFAOYSA-N
XLogP36.27
TPSA410.90 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002340.97
LogP ≤ 536.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole (CID 158785674) is 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole is Cc1nc2cc3nc(-c4cc(C)c(C)cc4C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(C)c(C)cc4C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(C)c(C)nc4C)oc3cc2o1.Cc1nc2cc3nc(-c4ccc(C)c(C)c4)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4ccc(C)c(C)c4)oc3cc2o1.Cc1nc2cc3sc(-c4cc(C)c(C)cc4C)nc3cc2s1.Cc1nc2cc3sc(-c4ccc(C)c(C)c4)nc3cc2s1.Cc1nc2nc3nc(-c4ccc(C)c(C)c4)[nH]c3cc2[nH]1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The InChIKey is IRQONNNHSUNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18N4.C18H16N2S2.C17H16N4.C17H15N3O2.C17H14N2O2.C17H14N2S2.C16H15N5/c2*1-9-5-11(3)13(6-10(9)2)18-21-16-7-14-15(8-17(16)22-18)20-12(4)19-14;1-9-5-11(3)13(6-10(9)2)18-20-15-8-16-14(7-17(15)22-18)19-12(4)21-16;1-9-4-5-12(6-10(9)2)17-20-15-7-13-14(8-16(15)21-17)19-11(3)18-13;1-8-5-12(10(3)18-9(8)2)17-20-14-6-13-15(7-16(14)22-17)21-11(4)19-13;1-9-4-5-12(6-10(9)2)17-19-14-7-13-15(8-16(14)21-17)20-11(3)18-13;1-9-4-5-12(6-10(9)2)17-19-14-8-15-13(7-16(14)21-17)18-11(3)20-15;1-8-4-5-11(6-9(8)2)14-19-13-7-12-15(18-10(3)17-12)21-16(13)20-14/h2*5-8H,1-4H3,(H,19,20)(H,21,22);5-8H,1-4H3;4-8H,1-3H3,(H,18,19)(H,20,21);5-7H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole has a molecular weight of 2340.97 g/mol, XLogP of 36.27, 8 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;5-(3,4-dimethylphenyl)-11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2-(3,4-dimethylphenyl)-6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole;bis(6-methyl-2-(2,4,5-trimethylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole);6-methyl-2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole;6-methyl-2-(2,5,6-trimethyl-3-pyridinyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 158785674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).