ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate

C18H20N2O2 — CID 19767968

IUPACethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(C)=C(Cn1ccnc1)CC2
InChIInChI=1S/C18H20N2O2/c1-3-22-18(21)15-6-4-14-5-7-16(13(2)17(14)10-15)11-20-9-8-19-12-20/h4,6,8-10,12H,3,5,7,11H2,1-2H3
InChIKeyIJKGEBYGTSIFDA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.48
Rot. Bonds4

About ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate

ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 19767968) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate
PubChem CID19767968
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Nameethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(C)=C(Cn1ccnc1)CC2
InChIInChI=1S/C18H20N2O2/c1-3-22-18(21)15-6-4-14-5-7-16(13(2)17(14)10-15)11-20-9-8-19-12-20/h4,6,8-10,12H,3,5,7,11H2,1-2H3
InChIKeyIJKGEBYGTSIFDA-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(chloromethyl)-5-(imidazol-1-ylmethyl)benzoate;hydrochloride
CID 131722506
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CID 22568837
ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate
CID 54020274
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
ethyl 1-imino-2,3-dihydroindene-5-carboxylate
CID 89172914
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CID 105421743
ethyl 4-(3-imidazol-1-ylpropylamino)-3-nitrobenzoate
CID 57498401
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate
CID 11644308
ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
CID 100665007

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate (CID 19767968) is ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate is CCOC(=O)c1ccc2c(c1)C(C)=C(Cn1ccnc1)CC2.
What is the InChIKey of ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is IJKGEBYGTSIFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-18(21)15-6-4-14-5-7-16(13(2)17(14)10-15)11-20-9-8-19-12-20/h4,6,8-10,12H,3,5,7,11H2,1-2H3.
What are the key properties of ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate?
ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(imidazol-1-ylmethyl)-8-methyl-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 19767968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).