1H-imidazol-2-yl(naphthalen-1-yl)methanone

C14H10N2O — CID 22999791

IUPAC1H-imidazol-2-yl(naphthalen-1-yl)methanone
SMILESO=C(c1ncc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C14H10N2O/c17-13(14-15-8-9-16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)
InChIKeyFGWSGQVXFMLTBM-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.79
Rot. Bonds2

About 1H-imidazol-2-yl(naphthalen-1-yl)methanone

1H-imidazol-2-yl(naphthalen-1-yl)methanone (PubChem CID 22999791) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1H-imidazol-2-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(naphthalen-1-yl)methanone
PubChem CID22999791
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name1H-imidazol-2-yl(naphthalen-1-yl)methanone
SMILESO=C(c1ncc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C14H10N2O/c17-13(14-15-8-9-16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)
InChIKeyFGWSGQVXFMLTBM-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(naphthalen-1-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(naphthalen-1-yl)methanone (CID 22999791) is 1H-imidazol-2-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(naphthalen-1-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(naphthalen-1-yl)methanone is O=C(c1ncc[nH]1)c1cccc2ccccc12.
What is the InChIKey of 1H-imidazol-2-yl(naphthalen-1-yl)methanone?
The InChIKey is FGWSGQVXFMLTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-13(14-15-8-9-16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16).
What are the key properties of 1H-imidazol-2-yl(naphthalen-1-yl)methanone?
1H-imidazol-2-yl(naphthalen-1-yl)methanone has a molecular weight of 222.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 22999791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).