2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide

C28H33N3O2 — CID 16996377

About 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide

2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide (PubChem CID 16996377) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

• Compound Name: 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
• PubChem CID: 16996377
• Molecular Formula: C28H33N3O2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.26
• IUPAC Name: 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
• SMILES: CCCN(CCC)C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
• InChI: InChI=1S/C28H33N3O2/c1-5-15-30(16-6-2)27(32)19-31-26-10-8-7-9-25(26)29-28(31)20(3)21-11-12-23-18-24(33-4)14-13-22(23)17-21/h7-14,17-18,20H,5-6,15-16,19H2,1-4H3
• InChIKey: UACJADQQMRHWSJ-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide?

The IUPAC name of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide (CID 16996377) is 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide.

What is the SMILES notation for 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide?

The canonical SMILES for 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21.

What is the InChIKey of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide?

The InChIKey is UACJADQQMRHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-5-15-30(16-6-2)27(32)19-31-26-10-8-7-9-25(26)29-28(31)20(3)21-11-12-23-18-24(33-4)14-13-22(23)17-21/h7-14,17-18,20H,5-6,15-16,19H2,1-4H3.

What are the key properties of 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide?

2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 443.59 g/mol, XLogP of 6.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 16996377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).