4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

C18H16FN3O2 — CID 22254794

IUPAC4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C18H16FN3O2/c19-14-4-2-12(3-5-14)15-16(13-6-8-20-9-7-13)22-17(21-15)18-23-10-1-11-24-18/h2-9,18H,1,10-11H2,(H,21,22)
InChIKeyBJMRYLASTDXVGV-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.71
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 22254794) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID22254794
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C18H16FN3O2/c19-14-4-2-12(3-5-14)15-16(13-6-8-20-9-7-13)22-17(21-15)18-23-10-1-11-24-18/h2-9,18H,1,10-11H2,(H,21,22)
InChIKeyBJMRYLASTDXVGV-UHFFFAOYSA-N
XLogP3.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-pyrrolidin-1-ylmethanone
CID 22255208
N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanesulfonamide
CID 22255368
N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]cyclohexanecarboxamide
CID 23592261
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanone
CID 22255190
2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide
CID 22255596
1-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-1-sulfanylurea
CID 57251550
3-amino-2-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]-2-methyl-3-oxopropanoic acid
CID 154441980
3-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]carbamoylamino]benzoic acid
CID 22255258
2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide
CID 22254858
N-[4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 22255370
3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one
CID 10360834
N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide
CID 23592265

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 22254794) is 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is BJMRYLASTDXVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-4-2-12(3-5-14)15-16(13-6-8-20-9-7-13)22-17(21-15)18-23-10-1-11-24-18/h2-9,18H,1,10-11H2,(H,21,22).
What are the key properties of 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 325.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 22254794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).