N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide

C33H38N4O2 — CID 16978358

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

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (PubChem CID 16978358) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
• PubChem CID: 16978358
• Molecular Formula: C33H38N4O2
• Molecular Weight: 522.69 g/mol
• Exact Mass: 522.30
• IUPAC Name: N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
• InChI: InChI=1S/C33H38N4O2/c38-32(21-20-26-12-4-1-5-13-26)34-23-22-31-35-29-18-10-11-19-30(29)37(31)25-33(39)36(28-16-8-3-9-17-28)24-27-14-6-2-7-15-27/h1-2,4-7,10-15,18-19,28H,3,8-9,16-17,20-25H2,(H,34,38)
• InChIKey: XMNLYUHNWIQUEE-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.69
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide (CID 16978358) is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide.

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

The canonical SMILES for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.

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

The InChIKey is XMNLYUHNWIQUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c38-32(21-20-26-12-4-1-5-13-26)34-23-22-31-35-29-18-10-11-19-30(29)37(31)25-33(39)36(28-16-8-3-9-17-28)24-27-14-6-2-7-15-27/h1-2,4-7,10-15,18-19,28H,3,8-9,16-17,20-25H2,(H,34,38).

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

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide has a molecular weight of 522.69 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16978358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).