2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel

C11H8N2NiO4 — CID 87741873

IUPAC2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel
SMILESO=C(O)c1ccccc1C(=O)Oc1ncc[nH]1.[Ni]
InChIInChI=1S/C11H8N2O4.Ni/c14-9(15)7-3-1-2-4-8(7)10(16)17-11-12-5-6-13-11;/h1-6H,(H,12,13)(H,14,15);
InChIKeyFIUVJJQXOZHSFZ-UHFFFAOYSA-N
MW290.89 g/mol
LogP1.32
Rot. Bonds3

About 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel

2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel (PubChem CID 87741873) has the molecular formula C11H8N2NiO4 and a molecular weight of 290.89 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel.

Molecular Properties

Compound Name2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel
PubChem CID87741873
Molecular FormulaC11H8N2NiO4
Molecular Weight290.89 g/mol
Exact Mass289.98
IUPAC Name2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel
SMILESO=C(O)c1ccccc1C(=O)Oc1ncc[nH]1.[Ni]
InChIInChI=1S/C11H8N2O4.Ni/c14-9(15)7-3-1-2-4-8(7)10(16)17-11-12-5-6-13-11;/h1-6H,(H,12,13)(H,14,15);
InChIKeyFIUVJJQXOZHSFZ-UHFFFAOYSA-N
XLogP1.32
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.89
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yloxycarbonyl)benzoic acid
CID 57259829
2-[2-(1H-imidazol-2-yl)undecoxycarbonyl]benzoic acid
CID 70432647
magnesium;phthalic acid;dichloride
CID 22501626
sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751
1H-imidazol-2-yl N-(2-methylpropyl)carbamate
CID 70568732
1H-imidazol-2-yl 2,2,2-trifluoroacetate
CID 57289417
2-phenoxycarbonylbenzoic acid;phosphoric acid
CID 70523982
3-(1H-imidazol-2-yl)phthalic acid;nickel
CID 162001080
phthalic acid;silicic acid
CID 159320374
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel?
The IUPAC name of 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel (CID 87741873) is 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel.
What is the SMILES notation for 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel?
The canonical SMILES for 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel is O=C(O)c1ccccc1C(=O)Oc1ncc[nH]1.[Ni].
What is the InChIKey of 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel?
The InChIKey is FIUVJJQXOZHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4.Ni/c14-9(15)7-3-1-2-4-8(7)10(16)17-11-12-5-6-13-11;/h1-6H,(H,12,13)(H,14,15);.
What are the key properties of 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel?
2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel has a molecular weight of 290.89 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel is sourced from PubChem (CID 87741873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).