ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate

C18H15ClN2O2 — CID 59324862

IUPACethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-17(22)15-16(13-9-5-3-6-10-13)21(18(19)20-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyUMNZAXJKJKGBKM-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.37
Rot. Bonds4

About ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate

ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate (PubChem CID 59324862) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate
PubChem CID59324862
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Nameethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-17(22)15-16(13-9-5-3-6-10-13)21(18(19)20-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyUMNZAXJKJKGBKM-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 2-chloro-1,5-diphenylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate (CID 59324862) is ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate is CCOC(=O)c1nc(Cl)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate?
The InChIKey is UMNZAXJKJKGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-23-17(22)15-16(13-9-5-3-6-10-13)21(18(19)20-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-chloro-1,5-diphenylimidazole-4-carboxylate?
ethyl 2-chloro-1,5-diphenylimidazole-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 2-chloro-1,5-diphenylimidazole-4-carboxylate is sourced from PubChem (CID 59324862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).