N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide

C29H32N4O3 — CID 16978211

About N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide

N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide (PubChem CID 16978211) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
• PubChem CID: 16978211
• Molecular Formula: C29H32N4O3
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.25
• IUPAC Name: N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C(C)C)c1
• InChI: InChI=1S/C29H32N4O3/c1-21(2)32(19-22-10-5-4-6-11-22)28(34)20-33-26-15-8-7-14-25(26)31-27(33)16-17-30-29(35)23-12-9-13-24(18-23)36-3/h4-15,18,21H,16-17,19-20H2,1-3H3,(H,30,35)
• InChIKey: WADIXALAZHMVOG-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?

The IUPAC name of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide (CID 16978211) is N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide.

What is the SMILES notation for N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?

The canonical SMILES for N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C(C)C)c1.

What is the InChIKey of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?

The InChIKey is WADIXALAZHMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-21(2)32(19-22-10-5-4-6-11-22)28(34)20-33-26-15-8-7-14-25(26)31-27(33)16-17-30-29(35)23-12-9-13-24(18-23)36-3/h4-15,18,21H,16-17,19-20H2,1-3H3,(H,30,35).

What are the key properties of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?

N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide has a molecular weight of 484.60 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 16978211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).