5-naphthalen-1-yl-1H-imidazole-2-carbonitrile

C14H9N3 — CID 116879955

IUPAC5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C14H9N3/c15-8-14-16-9-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,(H,16,17)
InChIKeyPALWIHRWKOTDEA-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

About 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile

5-naphthalen-1-yl-1H-imidazole-2-carbonitrile (PubChem CID 116879955) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
PubChem CID116879955
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C14H9N3/c15-8-14-16-9-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,(H,16,17)
InChIKeyPALWIHRWKOTDEA-UHFFFAOYSA-N
XLogP3.10
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile (CID 116879955) is 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile is N#Cc1ncc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile?
The InChIKey is PALWIHRWKOTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-8-14-16-9-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,(H,16,17).
What are the key properties of 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile?
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).