N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C35H39N3O3 — CID 18811211

About N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 18811211) has the molecular formula C35H39N3O3 and a molecular weight of 549.72 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
• PubChem CID: 18811211
• Molecular Formula: C35H39N3O3
• Molecular Weight: 549.72 g/mol
• Exact Mass: 549.30
• IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
• SMILES: CCc1cccc(C)c1N(C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21)C(C)COC
• InChI: InChI=1S/C35H39N3O3/c1-7-26-12-10-11-23(2)34(26)38(24(3)22-40-5)33(39)21-37-32-14-9-8-13-31(32)36-35(37)25(4)27-15-16-29-20-30(41-6)18-17-28(29)19-27/h8-20,24-25H,7,21-22H2,1-6H3
• InChIKey: SOCHNNJELLGSIW-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 18811211) is N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

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

The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide is CCc1cccc(C)c1N(C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21)C(C)COC.

What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide?

The InChIKey is SOCHNNJELLGSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O3/c1-7-26-12-10-11-23(2)34(26)38(24(3)22-40-5)33(39)21-37-32-14-9-8-13-31(32)36-35(37)25(4)27-15-16-29-20-30(41-6)18-17-28(29)19-27/h8-20,24-25H,7,21-22H2,1-6H3.

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

N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 549.72 g/mol, XLogP of 7.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 18811211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).