ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate

C12H11ClFN3O2 — CID 107531101

IUPACethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2cc(F)ccc2Cl)c1N
InChIInChI=1S/C12H11ClFN3O2/c1-2-19-12(18)10-11(15)17(6-16-10)9-5-7(14)3-4-8(9)13/h3-6H,2,15H2,1H3
InChIKeySNWTZULVICZFKU-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.42
Rot. Bonds3

About ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate

ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate (PubChem CID 107531101) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate
PubChem CID107531101
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC Nameethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2cc(F)ccc2Cl)c1N
InChIInChI=1S/C12H11ClFN3O2/c1-2-19-12(18)10-11(15)17(6-16-10)9-5-7(14)3-4-8(9)13/h3-6H,2,15H2,1H3
InChIKeySNWTZULVICZFKU-UHFFFAOYSA-N
XLogP2.42
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-(3,5-dichloro-4-fluorophenyl)imidazole-4-carboxylate
CID 107577886
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737
ethyl 4-chloro-1-(2,5-difluorophenyl)pyrazole-3-carboxylate
CID 155291590
methyl 5-amino-1-(2,4,5-trichlorophenyl)imidazole-4-carboxylate
CID 103544569
methyl 5-amino-1-(3-chloro-2-fluorophenyl)imidazole-4-carboxylate
CID 103544659
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
ethyl 5-amino-1-(5-methyl-3-pyridinyl)imidazole-4-carboxylate
CID 107586542
ethyl 4-amino-1-[(2-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344895
ethyl 4-(2-chloro-4-fluorophenyl)-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118655210
ethyl 1-[4-fluoro-2-(methylcarbamoyl)phenyl]-5-(hydroxymethyl)imidazole-4-carboxylate
CID 10925279
ethyl 5-amino-1-(2,6-dichloro-4-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 83079131

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate (CID 107531101) is ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(-c2cc(F)ccc2Cl)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is SNWTZULVICZFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2/c1-2-19-12(18)10-11(15)17(6-16-10)9-5-7(14)3-4-8(9)13/h3-6H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate?
ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 283.69 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 107531101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).