5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine

C108H102F3N11O2 — CID 159789818

IUPAC5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cc(C)cc(N2c3cc(OC(F)(F)F)ccc3N(c3ccccc3C)C2C)c1.Cc1cc(C)cc(N2c3ccc(-c4cccc5c4oc4ccccc45)cc3N(c3ccccc3C)C2C)c1.Cc1cc(C)cc(N2c3ccccc3N(c3ccccc3C)C2C)c1.Cc1ccccc1N1c2nccnc2N(c2cc(C)c(-c3ccncc3)c(C)c2)C1C
InChIInChI=1S/C35H30N2O.C26H25N5.C24H23F3N2O.C23H24N2/c1-22-18-23(2)20-27(19-22)36-25(4)37(31-14-7-5-10-24(31)3)33-21-26(16-17-32(33)36)28-12-9-13-30-29-11-6-8-15-34(29)38-35(28)30;1-17-7-5-6-8-23(17)31-20(4)30(25-26(31)29-14-13-28-25)22-15-18(2)24(19(3)16-22)21-9-11-27-12-10-21;1-15-11-16(2)13-19(12-15)28-18(4)29(21-8-6-5-7-17(21)3)22-10-9-20(14-23(22)28)30-24(25,26)27;1-16-13-17(2)15-20(14-16)24-19(4)25(21-10-6-5-9-18(21)3)23-12-8-7-11-22(23)24/h5-21,25H,1-4H3;5-16,20H,1-4H3;5-14,18H,1-4H3;5-15,19H,1-4H3
InChIKeyNIKMWAXYBMBERK-UHFFFAOYSA-N
MW1643.07 g/mol
LogP29.31
Rot. Bonds11

About 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine

5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 159789818) has the molecular formula C108H102F3N11O2 and a molecular weight of 1643.07 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
PubChem CID159789818
Molecular FormulaC108H102F3N11O2
Molecular Weight1643.07 g/mol
Exact Mass1641.82
IUPAC Name5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cc(C)cc(N2c3cc(OC(F)(F)F)ccc3N(c3ccccc3C)C2C)c1.Cc1cc(C)cc(N2c3ccc(-c4cccc5c4oc4ccccc45)cc3N(c3ccccc3C)C2C)c1.Cc1cc(C)cc(N2c3ccccc3N(c3ccccc3C)C2C)c1.Cc1ccccc1N1c2nccnc2N(c2cc(C)c(-c3ccncc3)c(C)c2)C1C
InChIInChI=1S/C35H30N2O.C26H25N5.C24H23F3N2O.C23H24N2/c1-22-18-23(2)20-27(19-22)36-25(4)37(31-14-7-5-10-24(31)3)33-21-26(16-17-32(33)36)28-12-9-13-30-29-11-6-8-15-34(29)38-35(28)30;1-17-7-5-6-8-23(17)31-20(4)30(25-26(31)29-14-13-28-25)22-15-18(2)24(19(3)16-22)21-9-11-27-12-10-21;1-15-11-16(2)13-19(12-15)28-18(4)29(21-8-6-5-7-17(21)3)22-10-9-20(14-23(22)28)30-24(25,26)27;1-16-13-17(2)15-20(14-16)24-19(4)25(21-10-6-5-9-18(21)3)23-12-8-7-11-22(23)24/h5-21,25H,1-4H3;5-16,20H,1-4H3;5-14,18H,1-4H3;5-15,19H,1-4H3
InChIKeyNIKMWAXYBMBERK-UHFFFAOYSA-N
XLogP29.31
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001643.07
LogP ≤ 529.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine (CID 159789818) is 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine is Cc1cc(C)cc(N2c3cc(OC(F)(F)F)ccc3N(c3ccccc3C)C2C)c1.Cc1cc(C)cc(N2c3ccc(-c4cccc5c4oc4ccccc45)cc3N(c3ccccc3C)C2C)c1.Cc1cc(C)cc(N2c3ccccc3N(c3ccccc3C)C2C)c1.Cc1ccccc1N1c2nccnc2N(c2cc(C)c(-c3ccncc3)c(C)c2)C1C.
What is the InChIKey of 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is NIKMWAXYBMBERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O.C26H25N5.C24H23F3N2O.C23H24N2/c1-22-18-23(2)20-27(19-22)36-25(4)37(31-14-7-5-10-24(31)3)33-21-26(16-17-32(33)36)28-12-9-13-30-29-11-6-8-15-34(29)38-35(28)30;1-17-7-5-6-8-23(17)31-20(4)30(25-26(31)29-14-13-28-25)22-15-18(2)24(19(3)16-22)21-9-11-27-12-10-21;1-15-11-16(2)13-19(12-15)28-18(4)29(21-8-6-5-7-17(21)3)22-10-9-20(14-23(22)28)30-24(25,26)27;1-16-13-17(2)15-20(14-16)24-19(4)25(21-10-6-5-9-18(21)3)23-12-8-7-11-22(23)24/h5-21,25H,1-4H3;5-16,20H,1-4H3;5-14,18H,1-4H3;5-15,19H,1-4H3.
What are the key properties of 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 1643.07 g/mol, XLogP of 29.31, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-(3,5-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-5-(trifluoromethoxy)-2H-benzimidazole;3-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 159789818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).