cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)

C18H15CoN12 — CID 139078784

IUPACcobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)
SMILES[Co+3].c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1
InChIInChI=1S/3C6H5N4.Co/c3*1-2-8-5(7-1)6-9-3-4-10-6;/h3*1-4H,(H-,7,8,9,10);/q3*-1;+3
InChIKeyGIBKEGDECSHTDC-UHFFFAOYSA-N
MW458.34 g/mol
LogP1.28
Rot. Bonds3

About cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)

cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide) (PubChem CID 139078784) has the molecular formula C18H15CoN12 and a molecular weight of 458.34 g/mol. Its IUPAC name is cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide).

Molecular Properties

Compound Namecobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)
PubChem CID139078784
Molecular FormulaC18H15CoN12
Molecular Weight458.34 g/mol
Exact Mass458.09
IUPAC Namecobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)
SMILES[Co+3].c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1
InChIInChI=1S/3C6H5N4.Co/c3*1-2-8-5(7-1)6-9-3-4-10-6;/h3*1-4H,(H-,7,8,9,10);/q3*-1;+3
InChIKeyGIBKEGDECSHTDC-UHFFFAOYSA-N
XLogP1.28
TPSA167.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)?
The IUPAC name of cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide) (CID 139078784) is cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide).
What is the SMILES notation for cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)?
The canonical SMILES for cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide) is [Co+3].c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.
What is the InChIKey of cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)?
The InChIKey is GIBKEGDECSHTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5N4.Co/c3*1-2-8-5(7-1)6-9-3-4-10-6;/h3*1-4H,(H-,7,8,9,10);/q3*-1;+3.
What are the key properties of cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide)?
cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide) has a molecular weight of 458.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(2-(1H-imidazol-2-yl)imidazol-3-ide) is sourced from PubChem (CID 139078784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).