ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate

C17H16N2O2 — CID 53404405

IUPACethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc3ccccc23)[nH]c1C
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)15-11(2)18-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBULJPUNWEGWHTE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.72
Rot. Bonds3

About ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate

ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate (PubChem CID 53404405) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
PubChem CID53404405
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc3ccccc23)[nH]c1C
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)15-11(2)18-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBULJPUNWEGWHTE-UHFFFAOYSA-N
XLogP3.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62227384
ethyl 2-[2-[(4-bromophenyl)methoxy]-3-cyanophenyl]-5-methyl-1H-imidazole-4-carboxylate
CID 175550767
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
ethyl 5-methyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-1H-imidazole-4-carboxylate
CID 169372608
methyl 2-(2-ethylphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 64693085
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784
ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate
CID 135030027

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate (CID 53404405) is ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc3ccccc23)[nH]c1C.
What is the InChIKey of ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate?
The InChIKey is BULJPUNWEGWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17(20)15-11(2)18-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate?
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 53404405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).