2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid

C11H12N2O3 — CID 117313900

IUPAC2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
SMILESCc1nc2c(C(O)C(=O)O)cccc2n1C
InChIInChI=1S/C11H12N2O3/c1-6-12-9-7(10(14)11(15)16)4-3-5-8(9)13(6)2/h3-5,10,14H,1-2H3,(H,15,16)
InChIKeyCMDJQQFDKGMOQS-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.00
Rot. Bonds2

About 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid

2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid (PubChem CID 117313900) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
PubChem CID117313900
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
SMILESCc1nc2c(C(O)C(=O)O)cccc2n1C
InChIInChI=1S/C11H12N2O3/c1-6-12-9-7(10(14)11(15)16)4-3-5-8(9)13(6)2/h3-5,10,14H,1-2H3,(H,15,16)
InChIKeyCMDJQQFDKGMOQS-UHFFFAOYSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid (CID 117313900) is 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid is Cc1nc2c(C(O)C(=O)O)cccc2n1C.
What is the InChIKey of 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid?
The InChIKey is CMDJQQFDKGMOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-12-9-7(10(14)11(15)16)4-3-5-8(9)13(6)2/h3-5,10,14H,1-2H3,(H,15,16).
What are the key properties of 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid?
2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid has a molecular weight of 220.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117313900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).