3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide

C32H38N4O2 — CID 87332181

About 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide

3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide (PubChem CID 87332181) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide
• PubChem CID: 87332181
• Molecular Formula: C32H38N4O2
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.30
• IUPAC Name: 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide
• SMILES: CCC(=O)CCCCC[C@H](NC(=O)CCn1c(CC)nc2ccccc21)c1cccc(-c2ccccc2)n1
• InChI: InChI=1S/C32H38N4O2/c1-3-25(37)16-9-6-10-17-28(27-20-13-19-26(33-27)24-14-7-5-8-15-24)35-32(38)22-23-36-30-21-12-11-18-29(30)34-31(36)4-2/h5,7-8,11-15,18-21,28H,3-4,6,9-10,16-17,22-23H2,1-2H3,(H,35,38)/t28-/m0/s1
• InChIKey: FZFZAHMTKXLAAJ-NDEPHWFRSA-N
• XLogP: 6.84
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide?

The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide (CID 87332181) is 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide.

What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide?

The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide is CCC(=O)CCCCC[C@H](NC(=O)CCn1c(CC)nc2ccccc21)c1cccc(-c2ccccc2)n1.

What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide?

The InChIKey is FZFZAHMTKXLAAJ-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H38N4O2/c1-3-25(37)16-9-6-10-17-28(27-20-13-19-26(33-27)24-14-7-5-8-15-24)35-32(38)22-23-36-30-21-12-11-18-29(30)34-31(36)4-2/h5,7-8,11-15,18-21,28H,3-4,6,9-10,16-17,22-23H2,1-2H3,(H,35,38)/t28-/m0/s1.

What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide?

3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide has a molecular weight of 510.68 g/mol, XLogP of 6.84, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(6-phenyl-2-pyridinyl)nonyl]propanamide is sourced from PubChem (CID 87332181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).