2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate

C30H33Cl2N3O4 — CID 53494987

About 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate

2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 53494987) has the molecular formula C30H33Cl2N3O4 and a molecular weight of 570.52 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate
• PubChem CID: 53494987
• Molecular Formula: C30H33Cl2N3O4
• Molecular Weight: 570.52 g/mol
• Exact Mass: 569.18
• IUPAC Name: 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate
• SMILES: COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)OCCN(C)C)c(OC(C)C)c1
• InChI: InChI=1S/C30H33Cl2N3O4/c1-19(2)39-26-18-24(37-5)14-15-25(26)29-33-27(20-6-10-22(31)11-7-20)28(21-8-12-23(32)13-9-21)35(29)30(36)38-17-16-34(3)4/h6-15,18-19,27-28H,16-17H2,1-5H3
• InChIKey: UNDGFWXBHFJPGJ-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 63.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.52
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate (CID 53494987) is 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)OCCN(C)C)c(OC(C)C)c1.

What is the InChIKey of 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate?

The InChIKey is UNDGFWXBHFJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33Cl2N3O4/c1-19(2)39-26-18-24(37-5)14-15-25(26)29-33-27(20-6-10-22(31)11-7-20)28(21-8-12-23(32)13-9-21)35(29)30(36)38-17-16-34(3)4/h6-15,18-19,27-28H,16-17H2,1-5H3.

What are the key properties of 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate?

2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 570.52 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 53494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).