ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate

C20H18N2O3 — CID 134910208

IUPACethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(CC(=O)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-2-25-20(24)19-18(15-11-7-4-8-12-15)21-17(22-19)13-16(23)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,21,22)
InChIKeyCHQXJERNGFCIPC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.68
Rot. Bonds6

About ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate

ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate (PubChem CID 134910208) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
PubChem CID134910208
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(CC(=O)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-2-25-20(24)19-18(15-11-7-4-8-12-15)21-17(22-19)13-16(23)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,21,22)
InChIKeyCHQXJERNGFCIPC-UHFFFAOYSA-N
XLogP3.68
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
5-isocyano-2-phenacyl-4-phenyl-1H-pyrimidin-6-one
CID 140704417
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
ethyl 4-(4-fluorophenyl)-2-tritylsulfanyl-1H-imidazole-5-carboxylate
CID 123191347
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate (CID 134910208) is ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(CC(=O)c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is CHQXJERNGFCIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-25-20(24)19-18(15-11-7-4-8-12-15)21-17(22-19)13-16(23)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,21,22).
What are the key properties of ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate?
ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 134910208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).