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

C32H36N4O2 — CID 16967141

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

N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 16967141) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• PubChem CID: 16967141
• Molecular Formula: C32H36N4O2
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.28
• IUPAC Name: N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)c1
• InChI: InChI=1S/C32H36N4O2/c1-23-12-11-15-26(20-23)32(38)33-24(2)31-34-28-18-9-10-19-29(28)36(31)22-30(37)35(27-16-7-4-8-17-27)21-25-13-5-3-6-14-25/h3,5-6,9-15,18-20,24,27H,4,7-8,16-17,21-22H2,1-2H3,(H,33,38)
• InChIKey: RXODPHJIEBKZFJ-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 16967141) is N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

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

The canonical SMILES for N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)c1.

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

The InChIKey is RXODPHJIEBKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-23-12-11-15-26(20-23)32(38)33-24(2)31-34-28-18-9-10-19-29(28)36(31)22-30(37)35(27-16-7-4-8-17-27)21-25-13-5-3-6-14-25/h3,5-6,9-15,18-20,24,27H,4,7-8,16-17,21-22H2,1-2H3,(H,33,38).

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

N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 508.67 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 16967141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).