2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole

C38H40N8O4 — CID 160694957

About 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole

2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole (PubChem CID 160694957) has the molecular formula C38H40N8O4 and a molecular weight of 672.79 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
• PubChem CID: 160694957
• Molecular Formula: C38H40N8O4
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.32
• IUPAC Name: 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
• SMILES: C.C.COc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(O)cc2[nH]1
• InChI: InChI=1S/C19H18N4O2.C17H14N4O2.2CH4/c1-23-17(18(25-3)16(22-23)12-7-5-4-6-8-12)19-20-14-10-9-13(24-2)11-15(14)21-19;1-21-15(16(23)14(20-21)10-5-3-2-4-6-10)17-18-12-8-7-11(22)9-13(12)19-17;;/h4-11H,1-3H3,(H,20,21);2-9,22-23H,1H3,(H,18,19);2*1H4
• InChIKey: RPWMIUFWZJJXJS-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 151.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.79
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?

The IUPAC name of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole (CID 160694957) is 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole.

What is the SMILES notation for 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?

The canonical SMILES for 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole is C.C.COc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(O)cc2[nH]1.

What is the InChIKey of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?

The InChIKey is RPWMIUFWZJJXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C17H14N4O2.2CH4/c1-23-17(18(25-3)16(22-23)12-7-5-4-6-8-12)19-20-14-10-9-13(24-2)11-15(14)21-19;1-21-15(16(23)14(20-21)10-5-3-2-4-6-10)17-18-12-8-7-11(22)9-13(12)19-17;;/h4-11H,1-3H3,(H,20,21);2-9,22-23H,1H3,(H,18,19);2*1H4.

What are the key properties of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?

2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole has a molecular weight of 672.79 g/mol, XLogP of 7.96, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 160694957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).