imidazol-1-yl(1H-imidazol-5-yl)methanone

C7H6N4O — CID 12766091

IUPACimidazol-1-yl(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)n1ccnc1
InChIInChI=1S/C7H6N4O/c12-7(6-3-9-4-10-6)11-2-1-8-5-11/h1-5H,(H,9,10)
InChIKeyWTWYVKTZGUQBNA-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.29
Rot. Bonds1

About imidazol-1-yl(1H-imidazol-5-yl)methanone

imidazol-1-yl(1H-imidazol-5-yl)methanone (PubChem CID 12766091) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is imidazol-1-yl(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl(1H-imidazol-5-yl)methanone
PubChem CID12766091
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Nameimidazol-1-yl(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)n1ccnc1
InChIInChI=1S/C7H6N4O/c12-7(6-3-9-4-10-6)11-2-1-8-5-11/h1-5H,(H,9,10)
InChIKeyWTWYVKTZGUQBNA-UHFFFAOYSA-N
XLogP0.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl(1H-imidazol-5-yl)methanone?
The IUPAC name of imidazol-1-yl(1H-imidazol-5-yl)methanone (CID 12766091) is imidazol-1-yl(1H-imidazol-5-yl)methanone.
What is the SMILES notation for imidazol-1-yl(1H-imidazol-5-yl)methanone?
The canonical SMILES for imidazol-1-yl(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)n1ccnc1.
What is the InChIKey of imidazol-1-yl(1H-imidazol-5-yl)methanone?
The InChIKey is WTWYVKTZGUQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7(6-3-9-4-10-6)11-2-1-8-5-11/h1-5H,(H,9,10).
What are the key properties of imidazol-1-yl(1H-imidazol-5-yl)methanone?
imidazol-1-yl(1H-imidazol-5-yl)methanone has a molecular weight of 162.15 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 12766091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).