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

C13H13ClN2O2 — CID 43445072

IUPACmethyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
SMILESCCc1[nH]c(-c2ccccc2Cl)nc1C(=O)OC
InChIInChI=1S/C13H13ClN2O2/c1-3-10-11(13(17)18-2)16-12(15-10)8-6-4-5-7-9(8)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyPYFQEFPENUZKEK-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.08
Rot. Bonds3

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

methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate (PubChem CID 43445072) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
PubChem CID43445072
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
SMILESCCc1[nH]c(-c2ccccc2Cl)nc1C(=O)OC
InChIInChI=1S/C13H13ClN2O2/c1-3-10-11(13(17)18-2)16-12(15-10)8-6-4-5-7-9(8)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyPYFQEFPENUZKEK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61414281
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
methyl 2-(3-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61410605
methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 64693085
5-bromo-2-(2-chlorophenyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106479966
[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
CID 105498426
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 13290682
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 43445130
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one
CID 105479994

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate (CID 43445072) is methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate is CCc1[nH]c(-c2ccccc2Cl)nc1C(=O)OC.
What is the InChIKey of methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate?
The InChIKey is PYFQEFPENUZKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-10-11(13(17)18-2)16-12(15-10)8-6-4-5-7-9(8)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate?
methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate has a molecular weight of 264.71 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 43445072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).