methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate

C18H13BrClFN2O3 — CID 139478791

IUPACmethyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate
SMILESCOC(=O)c1c(Br)nc(Oc2cccc(F)c2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H13BrClFN2O3/c1-25-17(24)15-16(19)22-18(26-14-4-2-3-13(21)9-14)23(15)10-11-5-7-12(20)8-6-11/h2-9H,10H2,1H3
InChIKeyFTDAEUIUFRCHHN-UHFFFAOYSA-N
MW439.67 g/mol
LogP5.07
Rot. Bonds5

About methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate

methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate (PubChem CID 139478791) has the molecular formula C18H13BrClFN2O3 and a molecular weight of 439.67 g/mol. Its IUPAC name is methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate
PubChem CID139478791
Molecular FormulaC18H13BrClFN2O3
Molecular Weight439.67 g/mol
Exact Mass437.98
IUPAC Namemethyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate
SMILESCOC(=O)c1c(Br)nc(Oc2cccc(F)c2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H13BrClFN2O3/c1-25-17(24)15-16(19)22-18(26-14-4-2-3-13(21)9-14)23(15)10-11-5-7-12(20)8-6-11/h2-9H,10H2,1H3
InChIKeyFTDAEUIUFRCHHN-UHFFFAOYSA-N
XLogP5.07
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.67
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate?
The IUPAC name of methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate (CID 139478791) is methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate is COC(=O)c1c(Br)nc(Oc2cccc(F)c2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate?
The InChIKey is FTDAEUIUFRCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClFN2O3/c1-25-17(24)15-16(19)22-18(26-14-4-2-3-13(21)9-14)23(15)10-11-5-7-12(20)8-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate?
methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate has a molecular weight of 439.67 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate is sourced from PubChem (CID 139478791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).