[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate

C25H26Cl2FN3O6 — CID 25055162

IUPAC[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate
SMILESCOCCOCC(C)(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc(OC)n1-c1ccc(F)cc1
InChIInChI=1S/C25H26Cl2FN3O6/c1-25(2,14-36-12-11-34-3)37-23(33)20-21(29-22(32)18-10-5-15(26)13-19(18)27)30-24(35-4)31(20)17-8-6-16(28)7-9-17/h5-10,13H,11-12,14H2,1-4H3,(H,29,32)
InChIKeySJZDDKQOCQSHNY-UHFFFAOYSA-N
MW554.40 g/mol
LogP5.18
Rot. Bonds11

About [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate

[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate (PubChem CID 25055162) has the molecular formula C25H26Cl2FN3O6 and a molecular weight of 554.40 g/mol. Its IUPAC name is [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate
PubChem CID25055162
Molecular FormulaC25H26Cl2FN3O6
Molecular Weight554.40 g/mol
Exact Mass553.12
IUPAC Name[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate
SMILESCOCCOCC(C)(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc(OC)n1-c1ccc(F)cc1
InChIInChI=1S/C25H26Cl2FN3O6/c1-25(2,14-36-12-11-34-3)37-23(33)20-21(29-22(32)18-10-5-15(26)13-19(18)27)30-24(35-4)31(20)17-8-6-16(28)7-9-17/h5-10,13H,11-12,14H2,1-4H3,(H,29,32)
InChIKeySJZDDKQOCQSHNY-UHFFFAOYSA-N
XLogP5.18
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?
The IUPAC name of [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate (CID 25055162) is [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate.
What is the SMILES notation for [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?
The canonical SMILES for [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate is COCCOCC(C)(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc(OC)n1-c1ccc(F)cc1.
What is the InChIKey of [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?
The InChIKey is SJZDDKQOCQSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2FN3O6/c1-25(2,14-36-12-11-34-3)37-23(33)20-21(29-22(32)18-10-5-15(26)13-19(18)27)30-24(35-4)31(20)17-8-6-16(28)7-9-17/h5-10,13H,11-12,14H2,1-4H3,(H,29,32).
What are the key properties of [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate?
[1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate has a molecular weight of 554.40 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethoxy)-2-methylpropan-2-yl] 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylate is sourced from PubChem (CID 25055162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).