1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol

C10H12N4O5 — CID 67892300

IUPAC1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol
SMILESO=C(O)c1nc[nH]c1C(=O)O.OCCn1ccnc1
InChIInChI=1S/C5H4N2O4.C5H8N2O/c8-4(9)2-3(5(10)11)7-1-6-2;8-4-3-7-2-1-6-5-7/h1H,(H,6,7)(H,8,9)(H,10,11);1-2,5,8H,3-4H2
InChIKeyPVOOIYPPWIMRSQ-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.32
Rot. Bonds4

About 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol

1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol (PubChem CID 67892300) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol
PubChem CID67892300
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol
SMILESO=C(O)c1nc[nH]c1C(=O)O.OCCn1ccnc1
InChIInChI=1S/C5H4N2O4.C5H8N2O/c8-4(9)2-3(5(10)11)7-1-6-2;8-4-3-7-2-1-6-5-7/h1H,(H,6,7)(H,8,9)(H,10,11);1-2,5,8H,3-4H2
InChIKeyPVOOIYPPWIMRSQ-UHFFFAOYSA-N
XLogP-0.32
TPSA141.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol?
The IUPAC name of 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol (CID 67892300) is 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol.
What is the SMILES notation for 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol?
The canonical SMILES for 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol is O=C(O)c1nc[nH]c1C(=O)O.OCCn1ccnc1.
What is the InChIKey of 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol?
The InChIKey is PVOOIYPPWIMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C5H8N2O/c8-4(9)2-3(5(10)11)7-1-6-2;8-4-3-7-2-1-6-5-7/h1H,(H,6,7)(H,8,9)(H,10,11);1-2,5,8H,3-4H2.
What are the key properties of 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol?
1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol has a molecular weight of 268.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol is sourced from PubChem (CID 67892300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).