3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide

C32H32Cl2N4O3 — CID 137301304

About 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide

3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide (PubChem CID 137301304) has the molecular formula C32H32Cl2N4O3 and a molecular weight of 591.54 g/mol. Its IUPAC name is 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide
• PubChem CID: 137301304
• Molecular Formula: C32H32Cl2N4O3
• Molecular Weight: 591.54 g/mol
• Exact Mass: 590.19
• IUPAC Name: 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide
• SMILES: Cc1cc(Cl)ccc1C1c2c(nc(-c3cc(C(=O)NC(C)C)ccc3O)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C
• InChI: InChI=1S/C32H32Cl2N4O3/c1-16(2)35-31(40)20-8-12-26(39)24(14-20)30-36-27-29(37(30)17(3)4)28(23-11-10-21(33)13-19(23)6)38(32(27)41)25-15-22(34)9-7-18(25)5/h7-17,28,39H,1-6H3,(H,35,40)
• InChIKey: KGHZXTMISLUVTJ-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.54
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide?

The IUPAC name of 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide (CID 137301304) is 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide.

What is the SMILES notation for 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide?

The canonical SMILES for 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide is Cc1cc(Cl)ccc1C1c2c(nc(-c3cc(C(=O)NC(C)C)ccc3O)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C.

What is the InChIKey of 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide?

The InChIKey is KGHZXTMISLUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2N4O3/c1-16(2)35-31(40)20-8-12-26(39)24(14-20)30-36-27-29(37(30)17(3)4)28(23-11-10-21(33)13-19(23)6)38(32(27)41)25-15-22(34)9-7-18(25)5/h7-17,28,39H,1-6H3,(H,35,40).

What are the key properties of 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide?

3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 591.54 g/mol, XLogP of 7.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 137301304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).