N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

C27H36N4O2 — CID 16976638

About N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 16976638) 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]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
• PubChem CID: 16976638
• 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]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(CC(C)C)CC(C)C)cc1
• InChI: InChI=1S/C27H36N4O2/c1-19(2)16-30(17-20(3)4)26(32)18-31-24-9-7-6-8-23(24)29-25(31)14-15-28-27(33)22-12-10-21(5)11-13-22/h6-13,19-20H,14-18H2,1-5H3,(H,28,33)
• InChIKey: BSHVLOSKRLOOJO-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.61
LogP ≤ 5	4.46
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]-4-methylbenzamide?

The IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 16976638) is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

What is the SMILES notation for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

The canonical SMILES for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(CC(C)C)CC(C)C)cc1.

What is the InChIKey of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

The InChIKey is BSHVLOSKRLOOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-19(2)16-30(17-20(3)4)26(32)18-31-24-9-7-6-8-23(24)29-25(31)14-15-28-27(33)22-12-10-21(5)11-13-22/h6-13,19-20H,14-18H2,1-5H3,(H,28,33).

What are the key properties of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 448.61 g/mol, XLogP of 4.46, 10 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]-4-methylbenzamide is sourced from PubChem (CID 16976638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).