bis(2-pyridin-2-ylimidazol-2-yl)methanone

C17H12N6O — CID 70486580

IUPACbis(2-pyridin-2-ylimidazol-2-yl)methanone
SMILESO=C(C1(c2ccccn2)N=CC=N1)C1(c2ccccn2)N=CC=N1
InChIInChI=1S/C17H12N6O/c24-15(16(20-9-10-21-16)13-5-1-3-7-18-13)17(22-11-12-23-17)14-6-2-4-8-19-14/h1-12H
InChIKeyXELCJUJSAOQOMZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.36
Rot. Bonds4

About bis(2-pyridin-2-ylimidazol-2-yl)methanone

bis(2-pyridin-2-ylimidazol-2-yl)methanone (PubChem CID 70486580) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is bis(2-pyridin-2-ylimidazol-2-yl)methanone.

Molecular Properties

Compound Namebis(2-pyridin-2-ylimidazol-2-yl)methanone
PubChem CID70486580
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Namebis(2-pyridin-2-ylimidazol-2-yl)methanone
SMILESO=C(C1(c2ccccn2)N=CC=N1)C1(c2ccccn2)N=CC=N1
InChIInChI=1S/C17H12N6O/c24-15(16(20-9-10-21-16)13-5-1-3-7-18-13)17(22-11-12-23-17)14-6-2-4-8-19-14/h1-12H
InChIKeyXELCJUJSAOQOMZ-UHFFFAOYSA-N
XLogP1.36
TPSA92.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylimidazol-2-yl)methanone?
The IUPAC name of bis(2-pyridin-2-ylimidazol-2-yl)methanone (CID 70486580) is bis(2-pyridin-2-ylimidazol-2-yl)methanone.
What is the SMILES notation for bis(2-pyridin-2-ylimidazol-2-yl)methanone?
The canonical SMILES for bis(2-pyridin-2-ylimidazol-2-yl)methanone is O=C(C1(c2ccccn2)N=CC=N1)C1(c2ccccn2)N=CC=N1.
What is the InChIKey of bis(2-pyridin-2-ylimidazol-2-yl)methanone?
The InChIKey is XELCJUJSAOQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-15(16(20-9-10-21-16)13-5-1-3-7-18-13)17(22-11-12-23-17)14-6-2-4-8-19-14/h1-12H.
What are the key properties of bis(2-pyridin-2-ylimidazol-2-yl)methanone?
bis(2-pyridin-2-ylimidazol-2-yl)methanone has a molecular weight of 316.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylimidazol-2-yl)methanone is sourced from PubChem (CID 70486580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).