(2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate

C22H18N2O2 — CID 12698969

IUPAC(2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate
SMILESO=C(OC(Cn1ccnc1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-22(18-7-2-1-3-8-18)26-21(15-24-13-12-23-16-24)20-11-10-17-6-4-5-9-19(17)14-20/h1-14,16,21H,15H2
InChIKeyLZAPWECEDDBSNW-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.63
Rot. Bonds5

About (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate

(2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate (PubChem CID 12698969) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate.

Molecular Properties

Compound Name(2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate
PubChem CID12698969
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate
SMILESO=C(OC(Cn1ccnc1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-22(18-7-2-1-3-8-18)26-21(15-24-13-12-23-16-24)20-11-10-17-6-4-5-9-19(17)14-20/h1-14,16,21H,15H2
InChIKeyLZAPWECEDDBSNW-UHFFFAOYSA-N
XLogP4.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate?
The IUPAC name of (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate (CID 12698969) is (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate.
What is the SMILES notation for (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate?
The canonical SMILES for (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate is O=C(OC(Cn1ccnc1)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate?
The InChIKey is LZAPWECEDDBSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22(18-7-2-1-3-8-18)26-21(15-24-13-12-23-16-24)20-11-10-17-6-4-5-9-19(17)14-20/h1-14,16,21H,15H2.
What are the key properties of (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate?
(2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate has a molecular weight of 342.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-1-naphthalen-2-ylethyl) benzoate is sourced from PubChem (CID 12698969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).