2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine

C22H22FN5 — CID 22181656

IUPAC2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine
SMILESCCC(c1nc(-c2ccccc2C)c(C)[nH]1)n1ccnc1-c1cccc(F)n1
InChIInChI=1S/C22H22FN5/c1-4-18(28-13-12-24-22(28)17-10-7-11-19(23)26-17)21-25-15(3)20(27-21)16-9-6-5-8-14(16)2/h5-13,18H,4H2,1-3H3,(H,25,27)
InChIKeyPHZTWHMROAVEDR-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.09
Rot. Bonds5

About 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine

2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine (PubChem CID 22181656) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine
PubChem CID22181656
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine
SMILESCCC(c1nc(-c2ccccc2C)c(C)[nH]1)n1ccnc1-c1cccc(F)n1
InChIInChI=1S/C22H22FN5/c1-4-18(28-13-12-24-22(28)17-10-7-11-19(23)26-17)21-25-15(3)20(27-21)16-9-6-5-8-14(16)2/h5-13,18H,4H2,1-3H3,(H,25,27)
InChIKeyPHZTWHMROAVEDR-UHFFFAOYSA-N
XLogP5.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.09
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-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine
CID 22181650
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
1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 112679312
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
CID 21026126
(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine
CID 142879975
5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 22335063
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
CID 10451188
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine?
The IUPAC name of 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine (CID 22181656) is 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine is CCC(c1nc(-c2ccccc2C)c(C)[nH]1)n1ccnc1-c1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine?
The InChIKey is PHZTWHMROAVEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5/c1-4-18(28-13-12-24-22(28)17-10-7-11-19(23)26-17)21-25-15(3)20(27-21)16-9-6-5-8-14(16)2/h5-13,18H,4H2,1-3H3,(H,25,27).
What are the key properties of 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine?
2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine has a molecular weight of 375.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[1-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 22181656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).