2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide

C24H26F3N3O2 — CID 11505016

IUPAC2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C24H26F3N3O2/c1-2-19(31)10-4-3-5-11-20(30-23(32)24(25,26)27)22-28-15-21(29-22)18-13-12-16-8-6-7-9-17(16)14-18/h6-9,12-15,20H,2-5,10-11H2,1H3,(H,28,29)(H,30,32)/t20-/m0/s1
InChIKeyONSXQVYCCFADQO-FQEVSTJZSA-N
MW445.49 g/mol
LogP5.88
Rot. Bonds10

About 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide

2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide (PubChem CID 11505016) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide
PubChem CID11505016
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C24H26F3N3O2/c1-2-19(31)10-4-3-5-11-20(30-23(32)24(25,26)27)22-28-15-21(29-22)18-13-12-16-8-6-7-9-17(16)14-18/h6-9,12-15,20H,2-5,10-11H2,1H3,(H,28,29)(H,30,32)/t20-/m0/s1
InChIKeyONSXQVYCCFADQO-FQEVSTJZSA-N
XLogP5.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide (CID 11505016) is 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide is CCC(=O)CCCCC[C@H](NC(=O)C(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide?
The InChIKey is ONSXQVYCCFADQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-2-19(31)10-4-3-5-11-20(30-23(32)24(25,26)27)22-28-15-21(29-22)18-13-12-16-8-6-7-9-17(16)14-18/h6-9,12-15,20H,2-5,10-11H2,1H3,(H,28,29)(H,30,32)/t20-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide?
2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide has a molecular weight of 445.49 g/mol, XLogP of 5.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]acetamide is sourced from PubChem (CID 11505016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).