3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

C23H27N7O2 — CID 143898694

About 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (PubChem CID 143898694) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

Molecular Properties

• Compound Name: 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
• PubChem CID: 143898694
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
• SMILES: CN1CCN(C2C=CC(c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)=CC2)C1O
• InChI: InChI=1S/C23H27N7O2/c1-28-7-8-30(23(28)32)16-5-3-13(4-6-16)19-21(31)20(29(2)27-19)22-25-17-9-14-11-24-12-15(14)10-18(17)26-22/h3-5,9-10,16,23-24,31-32H,6-8,11-12H2,1-2H3,(H,25,26)
• InChIKey: LMLDETHGPCIQRS-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 105.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

The IUPAC name of 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (CID 143898694) is 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

What is the SMILES notation for 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

The canonical SMILES for 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is CN1CCN(C2C=CC(c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)=CC2)C1O.

What is the InChIKey of 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

The InChIKey is LMLDETHGPCIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-28-7-8-30(23(28)32)16-5-3-13(4-6-16)19-21(31)20(29(2)27-19)22-25-17-9-14-11-24-12-15(14)10-18(17)26-22/h3-5,9-10,16,23-24,31-32H,6-8,11-12H2,1-2H3,(H,25,26).

What are the key properties of 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol has a molecular weight of 433.52 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-hydroxy-3-methylimidazolidin-1-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is sourced from PubChem (CID 143898694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).