1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole

C24H25Cl3N2O3 — CID 54383972

About 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole

1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole (PubChem CID 54383972) has the molecular formula C24H25Cl3N2O3 and a molecular weight of 495.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole.

Molecular Properties

• Compound Name: 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole
• PubChem CID: 54383972
• Molecular Formula: C24H25Cl3N2O3
• Molecular Weight: 495.83 g/mol
• Exact Mass: 494.09
• IUPAC Name: 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole
• SMILES: Clc1ccc(C(Cn2ccnc2)OC[C@H]2CCC[C@H](OCc3ccc(Cl)cc3Cl)O2)cc1
• InChI: InChI=1S/C24H25Cl3N2O3/c25-19-7-4-17(5-8-19)23(13-29-11-10-28-16-29)30-15-21-2-1-3-24(32-21)31-14-18-6-9-20(26)12-22(18)27/h4-12,16,21,23-24H,1-3,13-15H2/t21-,23?,24-/m1/s1
• InChIKey: VBXPCGJHXUUWHL-VNDUYKDKSA-N
• XLogP: 6.71
• TPSA: 45.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.83
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole?

The IUPAC name of 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole (CID 54383972) is 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole.

What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole?

The canonical SMILES for 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole is Clc1ccc(C(Cn2ccnc2)OC[C@H]2CCC[C@H](OCc3ccc(Cl)cc3Cl)O2)cc1.

What is the InChIKey of 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole?

The InChIKey is VBXPCGJHXUUWHL-VNDUYKDKSA-N. The full InChI is InChI=1S/C24H25Cl3N2O3/c25-19-7-4-17(5-8-19)23(13-29-11-10-28-16-29)30-15-21-2-1-3-24(32-21)31-14-18-6-9-20(26)12-22(18)27/h4-12,16,21,23-24H,1-3,13-15H2/t21-,23?,24-/m1/s1.

What are the key properties of 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole?

1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole has a molecular weight of 495.83 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole is sourced from PubChem (CID 54383972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).