2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid

C10H10N4O5 — CID 67892302

IUPAC2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(C(CO)c2ncc[nH]2)[nH]c1C(=O)O
InChIInChI=1S/C10H10N4O5/c15-3-4(7-11-1-2-12-7)8-13-5(9(16)17)6(14-8)10(18)19/h1-2,4,15H,3H2,(H,11,12)(H,13,14)(H,16,17)(H,18,19)
InChIKeyQRGJPEJHIYHHFW-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.35
Rot. Bonds5

About 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid

2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid (PubChem CID 67892302) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid
PubChem CID67892302
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(C(CO)c2ncc[nH]2)[nH]c1C(=O)O
InChIInChI=1S/C10H10N4O5/c15-3-4(7-11-1-2-12-7)8-13-5(9(16)17)6(14-8)10(18)19/h1-2,4,15H,3H2,(H,11,12)(H,13,14)(H,16,17)(H,18,19)
InChIKeyQRGJPEJHIYHHFW-UHFFFAOYSA-N
XLogP-0.35
TPSA152.19 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid?
The IUPAC name of 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid (CID 67892302) is 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid is O=C(O)c1nc(C(CO)c2ncc[nH]2)[nH]c1C(=O)O.
What is the InChIKey of 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid?
The InChIKey is QRGJPEJHIYHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-3-4(7-11-1-2-12-7)8-13-5(9(16)17)6(14-8)10(18)19/h1-2,4,15H,3H2,(H,11,12)(H,13,14)(H,16,17)(H,18,19).
What are the key properties of 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid?
2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid has a molecular weight of 266.21 g/mol, XLogP of -0.35, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid is sourced from PubChem (CID 67892302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).