bis(1H-imidazole-5-carboxylic acid);manganese

C8H8MnN4O4 — CID 134691385

IUPACbis(1H-imidazole-5-carboxylic acid);manganese
SMILESO=C(O)c1cnc[nH]1.O=C(O)c1cnc[nH]1.[Mn]
InChIInChI=1S/2C4H4N2O2.Mn/c2*7-4(8)3-1-5-2-6-3;/h2*1-2H,(H,5,6)(H,7,8);
InChIKeyLKVIRZVLYMGMGP-UHFFFAOYSA-N
MW279.11 g/mol
LogP0.21
Rot. Bonds2

About bis(1H-imidazole-5-carboxylic acid);manganese

bis(1H-imidazole-5-carboxylic acid);manganese (PubChem CID 134691385) has the molecular formula C8H8MnN4O4 and a molecular weight of 279.11 g/mol. Its IUPAC name is bis(1H-imidazole-5-carboxylic acid);manganese.

Molecular Properties

Compound Namebis(1H-imidazole-5-carboxylic acid);manganese
PubChem CID134691385
Molecular FormulaC8H8MnN4O4
Molecular Weight279.11 g/mol
Exact Mass278.99
IUPAC Namebis(1H-imidazole-5-carboxylic acid);manganese
SMILESO=C(O)c1cnc[nH]1.O=C(O)c1cnc[nH]1.[Mn]
InChIInChI=1S/2C4H4N2O2.Mn/c2*7-4(8)3-1-5-2-6-3;/h2*1-2H,(H,5,6)(H,7,8);
InChIKeyLKVIRZVLYMGMGP-UHFFFAOYSA-N
XLogP0.21
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 1H-imidazole-5-carboxylate;hydrochloride
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1H-imidazole-5-carbohydrazide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole-5-carboxylic acid);manganese?
The IUPAC name of bis(1H-imidazole-5-carboxylic acid);manganese (CID 134691385) is bis(1H-imidazole-5-carboxylic acid);manganese.
What is the SMILES notation for bis(1H-imidazole-5-carboxylic acid);manganese?
The canonical SMILES for bis(1H-imidazole-5-carboxylic acid);manganese is O=C(O)c1cnc[nH]1.O=C(O)c1cnc[nH]1.[Mn].
What is the InChIKey of bis(1H-imidazole-5-carboxylic acid);manganese?
The InChIKey is LKVIRZVLYMGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2O2.Mn/c2*7-4(8)3-1-5-2-6-3;/h2*1-2H,(H,5,6)(H,7,8);.
What are the key properties of bis(1H-imidazole-5-carboxylic acid);manganese?
bis(1H-imidazole-5-carboxylic acid);manganese has a molecular weight of 279.11 g/mol, XLogP of 0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole-5-carboxylic acid);manganese is sourced from PubChem (CID 134691385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).