2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid

C10H10N2O4 — CID 131543322

IUPAC2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)cc2[nH]cnc12
InChIInChI=1S/C10H10N2O4/c1-16-7-3-5(9(13)10(14)15)2-6-8(7)12-4-11-6/h2-4,9,13H,1H3,(H,11,12)(H,14,15)
InChIKeyZUWIRNPNOKOLES-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.69
Rot. Bonds3

About 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid

2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid (PubChem CID 131543322) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid
PubChem CID131543322
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)cc2[nH]cnc12
InChIInChI=1S/C10H10N2O4/c1-16-7-3-5(9(13)10(14)15)2-6-8(7)12-4-11-6/h2-4,9,13H,1H3,(H,11,12)(H,14,15)
InChIKeyZUWIRNPNOKOLES-UHFFFAOYSA-N
XLogP0.69
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
CID 68793766
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
7-methoxy-3H-imidazo[4,5-c]pyridine
CID 76845964

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid (CID 131543322) is 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid is COc1cc(C(O)C(=O)O)cc2[nH]cnc12.
What is the InChIKey of 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid?
The InChIKey is ZUWIRNPNOKOLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-16-7-3-5(9(13)10(14)15)2-6-8(7)12-4-11-6/h2-4,9,13H,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid?
2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid has a molecular weight of 222.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid is sourced from PubChem (CID 131543322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).