ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate

C13H13ClN2O2 — CID 43445075

IUPACethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2Cl)[nH]c1C
InChIInChI=1S/C13H13ClN2O2/c1-3-18-13(17)11-8(2)15-12(16-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVIEDGPCXSJGMGC-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.22
Rot. Bonds3

About ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate

ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 43445075) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID43445075
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Nameethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2Cl)[nH]c1C
InChIInChI=1S/C13H13ClN2O2/c1-3-18-13(17)11-8(2)15-12(16-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVIEDGPCXSJGMGC-UHFFFAOYSA-N
XLogP3.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
ethyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62533448
ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62227384
ethyl 2-[2-(5-formylfuran-2-yl)phenyl]-5-methyl-1H-imidazole-4-carboxylate
CID 169335171
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 43445072
ethyl 5-methyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-1H-imidazole-4-carboxylate
CID 169372608
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 64693085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 43445075) is ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2Cl)[nH]c1C.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is VIEDGPCXSJGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-18-13(17)11-8(2)15-12(16-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 264.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 43445075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).