ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate

C18H14Cl2N2O2 — CID 11348959

IUPACethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3
InChIKeySFFXXTXYSRSGGB-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.02
Rot. Bonds4

About ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate

ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate (PubChem CID 11348959) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate
PubChem CID11348959
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Nameethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3
InChIKeySFFXXTXYSRSGGB-UHFFFAOYSA-N
XLogP5.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1,2-bis(4-chlorophenyl)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 ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate (CID 11348959) is ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate?
The InChIKey is SFFXXTXYSRSGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate?
ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-bis(4-chlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11348959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).