2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid

C9H10N2O3 — CID 70534132

IUPAC2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid
SMILESO=C(O)CC1Nc2ccccc2N1O
InChIInChI=1S/C9H10N2O3/c12-9(13)5-8-10-6-3-1-2-4-7(6)11(8)14/h1-4,8,10,14H,5H2,(H,12,13)
InChIKeyAFWGGCQJEDFFIJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.11
Rot. Bonds2

About 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid

2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid (PubChem CID 70534132) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid
PubChem CID70534132
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid
SMILESO=C(O)CC1Nc2ccccc2N1O
InChIInChI=1S/C9H10N2O3/c12-9(13)5-8-10-6-3-1-2-4-7(6)11(8)14/h1-4,8,10,14H,5H2,(H,12,13)
InChIKeyAFWGGCQJEDFFIJ-UHFFFAOYSA-N
XLogP1.11
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid (CID 70534132) is 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid is O=C(O)CC1Nc2ccccc2N1O.
What is the InChIKey of 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid?
The InChIKey is AFWGGCQJEDFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-9(13)5-8-10-6-3-1-2-4-7(6)11(8)14/h1-4,8,10,14H,5H2,(H,12,13).
What are the key properties of 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid?
2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 70534132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).