ethyl 1,2,5-triphenylimidazole-4-carboxylate

C24H20N2O2 — CID 91744029

IUPACethyl 1,2,5-triphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2/c1-2-28-24(27)21-22(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)23(25-21)19-14-8-4-9-15-19/h3-17H,2H2,1H3
InChIKeyPPSRXTHHYCSTOU-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.38
Rot. Bonds5

About ethyl 1,2,5-triphenylimidazole-4-carboxylate

ethyl 1,2,5-triphenylimidazole-4-carboxylate (PubChem CID 91744029) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 1,2,5-triphenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-triphenylimidazole-4-carboxylate
PubChem CID91744029
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Nameethyl 1,2,5-triphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2/c1-2-28-24(27)21-22(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)23(25-21)19-14-8-4-9-15-19/h3-17H,2H2,1H3
InChIKeyPPSRXTHHYCSTOU-UHFFFAOYSA-N
XLogP5.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-triphenylimidazole-4-carboxylate?
The IUPAC name of ethyl 1,2,5-triphenylimidazole-4-carboxylate (CID 91744029) is ethyl 1,2,5-triphenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1,2,5-triphenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1,2,5-triphenylimidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 1,2,5-triphenylimidazole-4-carboxylate?
The InChIKey is PPSRXTHHYCSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-2-28-24(27)21-22(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)23(25-21)19-14-8-4-9-15-19/h3-17H,2H2,1H3.
What are the key properties of ethyl 1,2,5-triphenylimidazole-4-carboxylate?
ethyl 1,2,5-triphenylimidazole-4-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-triphenylimidazole-4-carboxylate is sourced from PubChem (CID 91744029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).