2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide

C29H29Cl4N3O2 — CID 173455969

About 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide (PubChem CID 173455969) has the molecular formula C29H29Cl4N3O2 and a molecular weight of 593.38 g/mol. Its IUPAC name is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide
• PubChem CID: 173455969
• Molecular Formula: C29H29Cl4N3O2
• Molecular Weight: 593.38 g/mol
• Exact Mass: 591.10
• IUPAC Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide
• SMILES: Cc1cccc(Cl)c1CNC(=O)C(C)N1C=CN(C(Cl)C(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C29H29Cl4N3O2/c1-19-4-3-5-26(32)25(19)16-34-29(37)20(2)35-14-15-36(18-35)28(33)27(22-8-12-24(31)13-9-22)38-17-21-6-10-23(30)11-7-21/h3-15,20,27-28H,16-18H2,1-2H3,(H,34,37)
• InChIKey: MYQMTIMJTNVNMG-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.38
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide?

The IUPAC name of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide (CID 173455969) is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide.

What is the SMILES notation for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide?

The canonical SMILES for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide is Cc1cccc(Cl)c1CNC(=O)C(C)N1C=CN(C(Cl)C(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.

What is the InChIKey of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide?

The InChIKey is MYQMTIMJTNVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl4N3O2/c1-19-4-3-5-26(32)25(19)16-34-29(37)20(2)35-14-15-36(18-35)28(33)27(22-8-12-24(31)13-9-22)38-17-21-6-10-23(30)11-7-21/h3-15,20,27-28H,16-18H2,1-2H3,(H,34,37).

What are the key properties of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide?

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide has a molecular weight of 593.38 g/mol, XLogP of 7.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-[(2-chloro-6-methylphenyl)methyl]propanamide is sourced from PubChem (CID 173455969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).