ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate

C18H16N2O2 — CID 560705

IUPACethyl 2,4-diphenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-22-18(21)16-15(13-9-5-3-6-10-13)19-17(20-16)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20)
InChIKeyBPDDFRMYIQRZHQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.92
Rot. Bonds4

About ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate

ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate (PubChem CID 560705) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diphenyl-1H-imidazole-5-carboxylate
PubChem CID560705
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameethyl 2,4-diphenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-22-18(21)16-15(13-9-5-3-6-10-13)19-17(20-16)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20)
InChIKeyBPDDFRMYIQRZHQ-UHFFFAOYSA-N
XLogP3.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate (CID 560705) is ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate?
The InChIKey is BPDDFRMYIQRZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-18(21)16-15(13-9-5-3-6-10-13)19-17(20-16)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate?
ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 560705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).