2-(6-hydroxybenzimidazol-1-yl)acetic acid

C9H8N2O3 — CID 84772237

IUPAC2-(6-hydroxybenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc2ccc(O)cc21
InChIInChI=1S/C9H8N2O3/c12-6-1-2-7-8(3-6)11(5-10-7)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKeyXGCDBJATLRBMSP-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.83
Rot. Bonds2

About 2-(6-hydroxybenzimidazol-1-yl)acetic acid

2-(6-hydroxybenzimidazol-1-yl)acetic acid (PubChem CID 84772237) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(6-hydroxybenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxybenzimidazol-1-yl)acetic acid
PubChem CID84772237
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(6-hydroxybenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc2ccc(O)cc21
InChIInChI=1S/C9H8N2O3/c12-6-1-2-7-8(3-6)11(5-10-7)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKeyXGCDBJATLRBMSP-UHFFFAOYSA-N
XLogP0.83
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carboxymethyl)benzimidazole-5-carboxylic acid
CID 16763194
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
2-(7-methylbenzimidazol-1-yl)acetic acid
CID 11735640
2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972310
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 84796849
2-[4-(benzimidazol-1-ylmethyl)triazol-1-yl]acetic acid
CID 167778646
2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
CID 83972284
2-(5-hexoxybenzimidazol-1-yl)acetic acid
CID 135220960
3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82790494
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061401

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxybenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(6-hydroxybenzimidazol-1-yl)acetic acid (CID 84772237) is 2-(6-hydroxybenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxybenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxybenzimidazol-1-yl)acetic acid is O=C(O)Cn1cnc2ccc(O)cc21.
What is the InChIKey of 2-(6-hydroxybenzimidazol-1-yl)acetic acid?
The InChIKey is XGCDBJATLRBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-6-1-2-7-8(3-6)11(5-10-7)4-9(13)14/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 2-(6-hydroxybenzimidazol-1-yl)acetic acid?
2-(6-hydroxybenzimidazol-1-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxybenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84772237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).