ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate

C18H15ClN2O2 — CID 11347980

IUPACethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-10-6-9-14(19)11-15)17(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyIWIAZAJMAHAFDU-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.37
Rot. Bonds4

About ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate

ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate (PubChem CID 11347980) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate
PubChem CID11347980
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Nameethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-10-6-9-14(19)11-15)17(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyIWIAZAJMAHAFDU-UHFFFAOYSA-N
XLogP4.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate (CID 11347980) is ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate is CCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate?
The InChIKey is IWIAZAJMAHAFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-10-6-9-14(19)11-15)17(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate?
ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorophenyl)-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 11347980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).