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;ethane;(3Z)-penta-1,3-diene

C59H68F3N7O — CID 144782601

About 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;ethane;(3Z)-penta-1,3-diene

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;ethane;(3Z)-penta-1,3-diene (PubChem CID 144782601) has the molecular formula C59H68F3N7O and a molecular weight of 948.23 g/mol. Its IUPAC name is 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;ethane;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: 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;ethane;(3Z)-penta-1,3-diene
• PubChem CID: 144782601
• Molecular Formula: C59H68F3N7O
• Molecular Weight: 948.23 g/mol
• Exact Mass: 947.54
• IUPAC Name: 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;ethane;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.CC.CC.Cc1cc(C)cc(N2c3cc(OC(F)(F)F)ccc3N(c3ccccc3C)C2C)c1.Cc1ccccc1N1c2nccnc2N(c2cc(C)c(-c3ccncc3)c(C)c2)C1C
• InChI: InChI=1S/C26H25N5.C24H23F3N2O.C5H8.2C2H6/c1-17-7-5-6-8-23(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;1-3-5-4-2;2*1-2/h5-16,20H,1-4H3;5-14,18H,1-4H3;3-5H,1H2,2H3;2*1-2H3/b;;5-4-
• InChIKey: ZEVXEGNSDMFGLZ-XKDBZRBDSA-N
• XLogP: 17.05
• TPSA: 60.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.23
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;ethane;(3Z)-penta-1,3-diene?

The IUPAC name of 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;ethane;(3Z)-penta-1,3-diene (CID 144782601) is 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;ethane;(3Z)-penta-1,3-diene.

What is the SMILES notation for 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;ethane;(3Z)-penta-1,3-diene?

The canonical SMILES for 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;ethane;(3Z)-penta-1,3-diene is C=C/C=C\C.CC.CC.Cc1cc(C)cc(N2c3cc(OC(F)(F)F)ccc3N(c3ccccc3C)C2C)c1.Cc1ccccc1N1c2nccnc2N(c2cc(C)c(-c3ccncc3)c(C)c2)C1C.

What is the InChIKey of 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;ethane;(3Z)-penta-1,3-diene?

The InChIKey is ZEVXEGNSDMFGLZ-XKDBZRBDSA-N. The full InChI is InChI=1S/C26H25N5.C24H23F3N2O.C5H8.2C2H6/c1-17-7-5-6-8-23(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;1-3-5-4-2;2*1-2/h5-16,20H,1-4H3;5-14,18H,1-4H3;3-5H,1H2,2H3;2*1-2H3/b;;5-4-;;.

What are the key properties of 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;ethane;(3Z)-penta-1,3-diene?

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;ethane;(3Z)-penta-1,3-diene has a molecular weight of 948.23 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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;ethane;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144782601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).