ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate

C23H18FN3O2 — CID 10134800

IUPACethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H18FN3O2/c1-2-29-23(28)18-5-3-17(4-6-18)22-26-20(15-7-9-19(24)10-8-15)21(27-22)16-11-13-25-14-12-16/h3-14H,2H2,1H3,(H,26,27)
InChIKeyZTHJUDVJIOOCAR-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.12
Rot. Bonds5

About ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate

ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate (PubChem CID 10134800) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
PubChem CID10134800
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Nameethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H18FN3O2/c1-2-29-23(28)18-5-3-17(4-6-18)22-26-20(15-7-9-19(24)10-8-15)21(27-22)16-11-13-25-14-12-16/h3-14H,2H2,1H3,(H,26,27)
InChIKeyZTHJUDVJIOOCAR-UHFFFAOYSA-N
XLogP5.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The IUPAC name of ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate (CID 10134800) is ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The canonical SMILES for ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate is CCOC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The InChIKey is ZTHJUDVJIOOCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-2-29-23(28)18-5-3-17(4-6-18)22-26-20(15-7-9-19(24)10-8-15)21(27-22)16-11-13-25-14-12-16/h3-14H,2H2,1H3,(H,26,27).
What are the key properties of ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate has a molecular weight of 387.41 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 10134800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).