N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

C27H36N4O2 — CID 16979038

About N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16979038) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
• PubChem CID: 16979038
• Molecular Formula: C27H36N4O2
• Molecular Weight: 448.61 g/mol
• Exact Mass: 448.28
• IUPAC Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
• SMILES: CC(C)CN(CC(C)C)C(=O)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21
• InChI: InChI=1S/C27H36N4O2/c1-20(2)17-30(18-21(3)4)27(33)19-31-24-13-9-8-12-23(24)29-25(31)14-15-28-26(32)16-22-10-6-5-7-11-22/h5-13,20-21H,14-19H2,1-4H3,(H,28,32)
• InChIKey: IBLWZTQMRQCEPY-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.61
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?

The IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16979038) is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

What is the SMILES notation for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?

The canonical SMILES for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21.

What is the InChIKey of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?

The InChIKey is IBLWZTQMRQCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-20(2)17-30(18-21(3)4)27(33)19-31-24-13-9-8-12-23(24)29-25(31)14-15-28-26(32)16-22-10-6-5-7-11-22/h5-13,20-21H,14-19H2,1-4H3,(H,28,32).

What are the key properties of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 448.61 g/mol, XLogP of 4.08, 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-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16979038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).