2-imidazol-1-yl-1-naphthalen-1-ylethanol

C15H14N2O — CID 3054233

IUPAC2-imidazol-1-yl-1-naphthalen-1-ylethanol
SMILESOC(Cn1ccnc1)c1cccc2ccccc12
InChIInChI=1S/C15H14N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15,18H,10H2
InChIKeyPGOHMHDRFAPIIL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.77
Rot. Bonds3

About 2-imidazol-1-yl-1-naphthalen-1-ylethanol

2-imidazol-1-yl-1-naphthalen-1-ylethanol (PubChem CID 3054233) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-naphthalen-1-ylethanol
PubChem CID3054233
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-imidazol-1-yl-1-naphthalen-1-ylethanol
SMILESOC(Cn1ccnc1)c1cccc2ccccc12
InChIInChI=1S/C15H14N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15,18H,10H2
InChIKeyPGOHMHDRFAPIIL-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-naphthalen-1-ylethanol?
The IUPAC name of 2-imidazol-1-yl-1-naphthalen-1-ylethanol (CID 3054233) is 2-imidazol-1-yl-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-imidazol-1-yl-1-naphthalen-1-ylethanol is OC(Cn1ccnc1)c1cccc2ccccc12.
What is the InChIKey of 2-imidazol-1-yl-1-naphthalen-1-ylethanol?
The InChIKey is PGOHMHDRFAPIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15,18H,10H2.
What are the key properties of 2-imidazol-1-yl-1-naphthalen-1-ylethanol?
2-imidazol-1-yl-1-naphthalen-1-ylethanol has a molecular weight of 238.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-naphthalen-1-ylethanol is sourced from PubChem (CID 3054233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).