ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate

C14H16ClN3O2 — CID 66251247

IUPACethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(-c2c(C)cccc2Cl)c1N
InChIInChI=1S/C14H16ClN3O2/c1-4-20-14(19)11-13(16)18(9(3)17-11)12-8(2)6-5-7-10(12)15/h5-7H,4,16H2,1-3H3
InChIKeyOOYADKBVLQSNFY-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.90
Rot. Bonds3

About ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate

ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate (PubChem CID 66251247) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
PubChem CID66251247
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Nameethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(-c2c(C)cccc2Cl)c1N
InChIInChI=1S/C14H16ClN3O2/c1-4-20-14(19)11-13(16)18(9(3)17-11)12-8(2)6-5-7-10(12)15/h5-7H,4,16H2,1-3H3
InChIKeyOOYADKBVLQSNFY-UHFFFAOYSA-N
XLogP2.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-(2,6-dichloro-4-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 83079131
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546244
ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 82343002
ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
CID 62913975
ethyl 5-amino-1-[4-(cyanomethyl)phenyl]-2-methylimidazole-4-carboxylate
CID 62302708
ethyl 5-amino-1-(2-bromo-5-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 107630303
1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 145442850
ethyl 5-amino-1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 71255710
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
methyl 5-amino-1-(3-chloro-2-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103546323
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate (CID 66251247) is ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate is CCOC(=O)c1nc(C)n(-c2c(C)cccc2Cl)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate?
The InChIKey is OOYADKBVLQSNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-4-20-14(19)11-13(16)18(9(3)17-11)12-8(2)6-5-7-10(12)15/h5-7H,4,16H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate?
ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate has a molecular weight of 293.75 g/mol, XLogP of 2.90, 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-6-methylphenyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 66251247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).