N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

C31H38N4O2 — CID 19243040

About N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide (PubChem CID 19243040) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
• PubChem CID: 19243040
• Molecular Formula: C31H38N4O2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.30
• IUPAC Name: N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
• SMILES: CC(C)N(C(=O)Cn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21)c1ccccc1
• InChI: InChI=1S/C31H38N4O2/c1-21(2)35(25-8-4-3-5-9-25)29(36)20-34-27-11-7-6-10-26(27)33-28(34)12-13-32-30(37)31-17-22-14-23(18-31)16-24(15-22)19-31/h3-11,21-24H,12-20H2,1-2H3,(H,32,37)
• InChIKey: GEUUVJHCLLCWEL-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?

The IUPAC name of N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide (CID 19243040) is N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide.

What is the SMILES notation for N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?

The canonical SMILES for N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide is CC(C)N(C(=O)Cn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21)c1ccccc1.

What is the InChIKey of N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?

The InChIKey is GEUUVJHCLLCWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-21(2)35(25-8-4-3-5-9-25)29(36)20-34-27-11-7-6-10-26(27)33-28(34)12-13-32-30(37)31-17-22-14-23(18-31)16-24(15-22)19-31/h3-11,21-24H,12-20H2,1-2H3,(H,32,37).

What are the key properties of N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?

N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 19243040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).