2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid

C11H10N2O4 — CID 67898620

IUPAC2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid
SMILESO=C(O)c1c(O)ccc(Cc2cnc[nH]2)c1O
InChIInChI=1S/C11H10N2O4/c14-8-2-1-6(3-7-4-12-5-13-7)10(15)9(8)11(16)17/h1-2,4-5,14-15H,3H2,(H,12,13)(H,16,17)
InChIKeyIEYLKOQGFNCYHV-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.11
Rot. Bonds3

About 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid

2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid (PubChem CID 67898620) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid.

Molecular Properties

Compound Name2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid
PubChem CID67898620
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid
SMILESO=C(O)c1c(O)ccc(Cc2cnc[nH]2)c1O
InChIInChI=1S/C11H10N2O4/c14-8-2-1-6(3-7-4-12-5-13-7)10(15)9(8)11(16)17/h1-2,4-5,14-15H,3H2,(H,12,13)(H,16,17)
InChIKeyIEYLKOQGFNCYHV-UHFFFAOYSA-N
XLogP1.11
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-3-pentylbenzoic acid
CID 91382378
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
CID 57226807
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-hydroxybenzoic acid
CID 70116940
2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide;hydrate
CID 135801666
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135508465
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 104833760
(3S)-3-amino-1-(2-hydroxynaphthalen-1-yl)-4-(1H-imidazol-5-yl)butan-2-one
CID 122459100
[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
CID 86580368
2-[[2-hydroxy-4-(trifluoromethyl)phenyl]methylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 167937215

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid?
The IUPAC name of 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid (CID 67898620) is 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid.
What is the SMILES notation for 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid?
The canonical SMILES for 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid is O=C(O)c1c(O)ccc(Cc2cnc[nH]2)c1O.
What is the InChIKey of 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid?
The InChIKey is IEYLKOQGFNCYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-8-2-1-6(3-7-4-12-5-13-7)10(15)9(8)11(16)17/h1-2,4-5,14-15H,3H2,(H,12,13)(H,16,17).
What are the key properties of 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid?
2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid has a molecular weight of 234.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid is sourced from PubChem (CID 67898620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).