ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate

C16H16N2O2 — CID 3021566

IUPACethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)13-4-3-12-5-6-15(10-14(12)9-13)18-8-7-17-11-18/h3-4,7-11H,2,5-6H2,1H3
InChIKeyHUZBRJVXYZZTRG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.00
Rot. Bonds3

About ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate

ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 3021566) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate
PubChem CID3021566
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)13-4-3-12-5-6-15(10-14(12)9-13)18-8-7-17-11-18/h3-4,7-11H,2,5-6H2,1H3
InChIKeyHUZBRJVXYZZTRG-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate (CID 3021566) is ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate is CCOC(=O)c1ccc2c(c1)C=C(n1ccnc1)CC2.
What is the InChIKey of ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is HUZBRJVXYZZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-16(19)13-4-3-12-5-6-15(10-14(12)9-13)18-8-7-17-11-18/h3-4,7-11H,2,5-6H2,1H3.
What are the key properties of ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate?
ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 3021566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).