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

C32H32Cl2N4O3 — CID 86766903

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

4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 86766903) has the molecular formula C32H32Cl2N4O3 and a molecular weight of 591.54 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide
• PubChem CID: 86766903
• Molecular Formula: C32H32Cl2N4O3
• Molecular Weight: 591.54 g/mol
• Exact Mass: 590.19
• IUPAC Name: 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide
• SMILES: COc1cc(C(=O)N(C)C)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-12-9-20(15-26(24)41-7)31(39)36(5)6)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-13-11-21(33)14-19(23)4/h8-17,28H,1-7H3
• InChIKey: AIWSYEZTZZFXEJ-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 67.67 Ų
• 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	7.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide (CID 86766903) is 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide.

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

The canonical SMILES for 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide is COc1cc(C(=O)N(C)C)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O.

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

The InChIKey is AIWSYEZTZZFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-12-9-20(15-26(24)41-7)31(39)36(5)6)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-13-11-21(33)14-19(23)4/h8-17,28H,1-7H3.

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

4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 591.54 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 86766903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).