1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole

C24H23Cl3N2O2S — CID 89233156

About 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole

1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole (PubChem CID 89233156) has the molecular formula C24H23Cl3N2O2S and a molecular weight of 509.89 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole.

Molecular Properties

• Compound Name: 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole
• PubChem CID: 89233156
• Molecular Formula: C24H23Cl3N2O2S
• Molecular Weight: 509.89 g/mol
• Exact Mass: 508.05
• IUPAC Name: 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole
• SMILES: C[C@@H](Oc1csc(-n2cnc3ccc(OC(CCCl)CCCl)cc32)c1)c1ccccc1Cl
• InChI: InChI=1S/C24H23Cl3N2O2S/c1-16(20-4-2-3-5-21(20)27)30-19-13-24(32-14-19)29-15-28-22-7-6-18(12-23(22)29)31-17(8-10-25)9-11-26/h2-7,12-17H,8-11H2,1H3/t16-/m1/s1
• InChIKey: MIEWWLNLDCVDEO-MRXNPFEDSA-N
• XLogP: 7.89
• TPSA: 36.28 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.89
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole?

The IUPAC name of 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole (CID 89233156) is 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole.

What is the SMILES notation for 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole?

The canonical SMILES for 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole is C[C@@H](Oc1csc(-n2cnc3ccc(OC(CCCl)CCCl)cc32)c1)c1ccccc1Cl.

What is the InChIKey of 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole?

The InChIKey is MIEWWLNLDCVDEO-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23Cl3N2O2S/c1-16(20-4-2-3-5-21(20)27)30-19-13-24(32-14-19)29-15-28-22-7-6-18(12-23(22)29)31-17(8-10-25)9-11-26/h2-7,12-17H,8-11H2,1H3/t16-/m1/s1.

What are the key properties of 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole?

1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole has a molecular weight of 509.89 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole is sourced from PubChem (CID 89233156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).