CID 162407814

C15H16BFN3O — CID 162407814

IUPAC—
SMILESCOc1ccc(/C=C(\F)[B-](C#N)c2n(C)cc[n+]2C)cc1
InChIInChI=1S/C15H16BFN3O/c1-19-8-9-20(2)15(19)16(11-18)14(17)10-12-4-6-13(21-3)7-5-12/h4-10H,1-3H3/b14-10-
InChIKeyRJPZANYBBIFSHO-UVTDQMKNSA-N
MW284.12 g/mol
LogP1.17
Rot. Bonds4

About CID 162407814

CID 162407814 (PubChem CID 162407814) has the molecular formula C15H16BFN3O and a molecular weight of 284.12 g/mol.

Molecular Properties

Compound NameCID 162407814
PubChem CID162407814
Molecular FormulaC15H16BFN3O
Molecular Weight284.12 g/mol
Exact Mass284.14
IUPAC Name—
SMILESCOc1ccc(/C=C(\F)[B-](C#N)c2n(C)cc[n+]2C)cc1
InChIInChI=1S/C15H16BFN3O/c1-19-8-9-20(2)15(19)16(11-18)14(17)10-12-4-6-13(21-3)7-5-12/h4-10H,1-3H3/b14-10-
InChIKeyRJPZANYBBIFSHO-UVTDQMKNSA-N
XLogP1.17
TPSA41.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[3-(2,6-dimethylphenoxy)propyl]-1H-imidazole
CID 2843475
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-[3-(mesityloxy)propyl]-1H-imidazole
CID 3847057
1-[2-(4-Benzylphenoxy)ethyl]-1H-imidazole
CID 2994178

Frequently Asked Questions

What is the IUPAC name of CID 162407814?
The IUPAC name of CID 162407814 (CID 162407814) is not available.
What is the SMILES notation for CID 162407814?
The canonical SMILES for CID 162407814 is COc1ccc(/C=C(\F)[B-](C#N)c2n(C)cc[n+]2C)cc1.
What is the InChIKey of CID 162407814?
The InChIKey is RJPZANYBBIFSHO-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H16BFN3O/c1-19-8-9-20(2)15(19)16(11-18)14(17)10-12-4-6-13(21-3)7-5-12/h4-10H,1-3H3/b14-10-.
What are the key properties of CID 162407814?
CID 162407814 has a molecular weight of 284.12 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162407814 is sourced from PubChem (CID 162407814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).