ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate

C18H15Cl2N3O2 — CID 11188040

IUPACethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(N)cc2)n1
InChIInChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2,21H2,1H3
InChIKeyCTWMONZOQPBQSN-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.61
Rot. Bonds4

About ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate

ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11188040) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11188040
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Nameethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(N)cc2)n1
InChIInChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2,21H2,1H3
InChIKeyCTWMONZOQPBQSN-UHFFFAOYSA-N
XLogP4.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (CID 11188040) is ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(N)cc2)n1.
What is the InChIKey of ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is CTWMONZOQPBQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2,21H2,1H3.
What are the key properties of ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate has a molecular weight of 376.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11188040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).