2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine

C15H15BrFN5 — CID 22181650

IUPAC2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine
SMILESCCC(c1nc(Br)c(C)[nH]1)n1ccnc1-c1cccc(F)n1
InChIInChI=1S/C15H15BrFN5/c1-3-11(14-19-9(2)13(16)21-14)22-8-7-18-15(22)10-5-4-6-12(17)20-10/h4-8,11H,3H2,1-2H3,(H,19,21)
InChIKeyRELCFCBTOZHCEU-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.88
Rot. Bonds4

About 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine

2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine (PubChem CID 22181650) has the molecular formula C15H15BrFN5 and a molecular weight of 364.22 g/mol. Its IUPAC name is 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine.

Molecular Properties

Compound Name2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine
PubChem CID22181650
Molecular FormulaC15H15BrFN5
Molecular Weight364.22 g/mol
Exact Mass363.05
IUPAC Name2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine
SMILESCCC(c1nc(Br)c(C)[nH]1)n1ccnc1-c1cccc(F)n1
InChIInChI=1S/C15H15BrFN5/c1-3-11(14-19-9(2)13(16)21-14)22-8-7-18-15(22)10-5-4-6-12(17)20-10/h4-8,11H,3H2,1-2H3,(H,19,21)
InChIKeyRELCFCBTOZHCEU-UHFFFAOYSA-N
XLogP3.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine
CID 22181656
2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine
CID 22181662
2-methyl-6-[1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazol-2-yl]pyridine
CID 96572221
5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
CID 58748668
5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 22335063
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propylimidazo[1,2-c]pyrimidine
CID 11245036
(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine
CID 142879975
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
CID 22335093
6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
CID 10451188
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
CID 83647798
6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
CID 58748663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine?
The IUPAC name of 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine (CID 22181650) is 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine.
What is the SMILES notation for 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine?
The canonical SMILES for 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine is CCC(c1nc(Br)c(C)[nH]1)n1ccnc1-c1cccc(F)n1.
What is the InChIKey of 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine?
The InChIKey is RELCFCBTOZHCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN5/c1-3-11(14-19-9(2)13(16)21-14)22-8-7-18-15(22)10-5-4-6-12(17)20-10/h4-8,11H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine?
2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine has a molecular weight of 364.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine is sourced from PubChem (CID 22181650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).