methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate

C19H18FN3O2 — CID 10640817

IUPACmethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate
SMILESCOC(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H18FN3O2/c1-25-17(24)3-2-12-23-13-22-18(14-4-6-16(20)7-5-14)19(23)15-8-10-21-11-9-15/h4-11,13H,2-3,12H2,1H3
InChIKeyZZCMAOOBHIDTJN-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.70
Rot. Bonds6

About methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate

methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate (PubChem CID 10640817) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate
PubChem CID10640817
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namemethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate
SMILESCOC(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H18FN3O2/c1-25-17(24)3-2-12-23-13-22-18(14-4-6-16(20)7-5-14)19(23)15-8-10-21-11-9-15/h4-11,13H,2-3,12H2,1H3
InChIKeyZZCMAOOBHIDTJN-UHFFFAOYSA-N
XLogP3.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate?
The IUPAC name of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate (CID 10640817) is methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate?
The canonical SMILES for methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate is COC(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate?
The InChIKey is ZZCMAOOBHIDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-17(24)3-2-12-23-13-22-18(14-4-6-16(20)7-5-14)19(23)15-8-10-21-11-9-15/h4-11,13H,2-3,12H2,1H3.
What are the key properties of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate?
methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate has a molecular weight of 339.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butanoate is sourced from PubChem (CID 10640817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).