1-(naphthalen-1-ylmethyl)imidazole

C14H12N2 — CID 588244

IUPAC1-(naphthalen-1-ylmethyl)imidazole
SMILESc1ccc2c(Cn3ccnc3)cccc2c1
InChIInChI=1S/C14H12N2/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-9-8-15-11-16/h1-9,11H,10H2
InChIKeyMMPXKUSIQTTZCJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)imidazole

1-(naphthalen-1-ylmethyl)imidazole (PubChem CID 588244) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)imidazole
PubChem CID588244
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-(naphthalen-1-ylmethyl)imidazole
SMILESc1ccc2c(Cn3ccnc3)cccc2c1
InChIInChI=1S/C14H12N2/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-9-8-15-11-16/h1-9,11H,10H2
InChIKeyMMPXKUSIQTTZCJ-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)imidazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)imidazole (CID 588244) is 1-(naphthalen-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)imidazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)imidazole is c1ccc2c(Cn3ccnc3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)imidazole?
The InChIKey is MMPXKUSIQTTZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-9-8-15-11-16/h1-9,11H,10H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)imidazole?
1-(naphthalen-1-ylmethyl)imidazole has a molecular weight of 208.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)imidazole is sourced from PubChem (CID 588244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).