ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate

C24H21N3O2 — CID 2817092

IUPACethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(-c2cccnc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-2-29-21(28)17-27-23(19-12-7-4-8-13-19)22(18-10-5-3-6-11-18)26-24(27)20-14-9-15-25-16-20/h3-16H,2,17H2,1H3
InChIKeyHOTOFEIJFPLBPF-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.84
Rot. Bonds6

About ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate

ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate (PubChem CID 2817092) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate
PubChem CID2817092
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Nameethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(-c2cccnc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-2-29-21(28)17-27-23(19-12-7-4-8-13-19)22(18-10-5-3-6-11-18)26-24(27)20-14-9-15-25-16-20/h3-16H,2,17H2,1H3
InChIKeyHOTOFEIJFPLBPF-UHFFFAOYSA-N
XLogP4.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate (CID 2817092) is ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate is CCOC(=O)Cn1c(-c2cccnc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate?
The InChIKey is HOTOFEIJFPLBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-29-21(28)17-27-23(19-12-7-4-8-13-19)22(18-10-5-3-6-11-18)26-24(27)20-14-9-15-25-16-20/h3-16H,2,17H2,1H3.
What are the key properties of ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate?
ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate has a molecular weight of 383.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate is sourced from PubChem (CID 2817092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).