dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate

C19H15ClN2O5 — CID 175044351

IUPACdimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
SMILESCOC(=O)c1ncn(-c2ccc(Oc3ccc(Cl)cc3)cc2)c1C(=O)OC
InChIInChI=1S/C19H15ClN2O5/c1-25-18(23)16-17(19(24)26-2)22(11-21-16)13-5-9-15(10-6-13)27-14-7-3-12(20)4-8-14/h3-11H,1-2H3
InChIKeyFIZICMMKLUJHPJ-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.89
Rot. Bonds5

About dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate

dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate (PubChem CID 175044351) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
PubChem CID175044351
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Namedimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
SMILESCOC(=O)c1ncn(-c2ccc(Oc3ccc(Cl)cc3)cc2)c1C(=O)OC
InChIInChI=1S/C19H15ClN2O5/c1-25-18(23)16-17(19(24)26-2)22(11-21-16)13-5-9-15(10-6-13)27-14-7-3-12(20)4-8-14/h3-11H,1-2H3
InChIKeyFIZICMMKLUJHPJ-UHFFFAOYSA-N
XLogP3.89
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate (CID 175044351) is dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate is COC(=O)c1ncn(-c2ccc(Oc3ccc(Cl)cc3)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate?
The InChIKey is FIZICMMKLUJHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-25-18(23)16-17(19(24)26-2)22(11-21-16)13-5-9-15(10-6-13)27-14-7-3-12(20)4-8-14/h3-11H,1-2H3.
What are the key properties of dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate?
dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate has a molecular weight of 386.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate is sourced from PubChem (CID 175044351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).