2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid

C10H10N2O4 — CID 107432373

IUPAC2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid
SMILESCn1cncc1C(O)c1occc1C(=O)O
InChIInChI=1S/C10H10N2O4/c1-12-5-11-4-7(12)8(13)9-6(10(14)15)2-3-16-9/h2-5,8,13H,1H3,(H,14,15)
InChIKeyIUXHYQPREMQJBR-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.79
Rot. Bonds3

About 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid

2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid (PubChem CID 107432373) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid
PubChem CID107432373
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid
SMILESCn1cncc1C(O)c1occc1C(=O)O
InChIInChI=1S/C10H10N2O4/c1-12-5-11-4-7(12)8(13)9-6(10(14)15)2-3-16-9/h2-5,8,13H,1H3,(H,14,15)
InChIKeyIUXHYQPREMQJBR-UHFFFAOYSA-N
XLogP0.79
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid
CID 107432647
furan-3-yl-(3-methylimidazol-4-yl)methanol
CID 66119030
2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
CID 86813184
(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
CID 66129848
2-(1-hydroxy-3-methylbutyl)furan-3-carboxylic acid
CID 23503257
2-[(5-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432083
2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432210
2-[(2,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432102
(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methanol
CID 66116496
2-[(2-chloro-3,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432216
(3-methylimidazol-4-yl)-naphthalen-2-ylmethanol
CID 66116281
3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methanol
CID 102646615

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid (CID 107432373) is 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid is Cn1cncc1C(O)c1occc1C(=O)O.
What is the InChIKey of 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid?
The InChIKey is IUXHYQPREMQJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-12-5-11-4-7(12)8(13)9-6(10(14)15)2-3-16-9/h2-5,8,13H,1H3,(H,14,15).
What are the key properties of 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid?
2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 107432373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).