methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate

C14H16N2O2 — CID 64693085

IUPACmethyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCCc1ccccc1-c1nc(C(=O)OC)c(C)[nH]1
InChIInChI=1S/C14H16N2O2/c1-4-10-7-5-6-8-11(10)13-15-9(2)12(16-13)14(17)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyPYMSUXXUILUXJL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.73
Rot. Bonds3

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

methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 64693085) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID64693085
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCCc1ccccc1-c1nc(C(=O)OC)c(C)[nH]1
InChIInChI=1S/C14H16N2O2/c1-4-10-7-5-6-8-11(10)13-15-9(2)12(16-13)14(17)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyPYMSUXXUILUXJL-UHFFFAOYSA-N
XLogP2.73
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 64693085) is methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate is CCc1ccccc1-c1nc(C(=O)OC)c(C)[nH]1.
What is the InChIKey of methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is PYMSUXXUILUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-10-7-5-6-8-11(10)13-15-9(2)12(16-13)14(17)18-3/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate?
methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 64693085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).