1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

C30H30N2O2 — CID 16996324

About 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (PubChem CID 16996324) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
• PubChem CID: 16996324
• Molecular Formula: C30H30N2O2
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.23
• IUPAC Name: 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
• SMILES: COc1ccc2cc(C(C)c3nc4ccccc4n3CCOc3ccc(C)cc3C)ccc2c1
• InChI: InChI=1S/C30H30N2O2/c1-20-9-14-29(21(2)17-20)34-16-15-32-28-8-6-5-7-27(28)31-30(32)22(3)23-10-11-25-19-26(33-4)13-12-24(25)18-23/h5-14,17-19,22H,15-16H2,1-4H3
• InChIKey: AWPRIGMUOUFSDE-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 36.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?

The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (CID 16996324) is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.

What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?

The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is COc1ccc2cc(C(C)c3nc4ccccc4n3CCOc3ccc(C)cc3C)ccc2c1.

What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?

The InChIKey is AWPRIGMUOUFSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-20-9-14-29(21(2)17-20)34-16-15-32-28-8-6-5-7-27(28)31-30(32)22(3)23-10-11-25-19-26(33-4)13-12-24(25)18-23/h5-14,17-19,22H,15-16H2,1-4H3.

What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?

1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole has a molecular weight of 450.58 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 16996324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).