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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Related Compounds

ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
CID 90870116
(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol
CID 21334340
ethane;methyl 3-(1,2-dimethylbenzimidazol-4-yl)-3-(methylamino)propanoate;methyl 3-(1,2-dimethylbenzimidazol-4-yl)-3-oxopropanoate
CID 158206366
2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118818652
2-(2-chloro-1,3-benzoxazol-4-yl)-2-hydroxyacetic acid
CID 118801595
2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118852427
2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
CID 82412586
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115071837
2-[3-(1-chloro-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135740852
1,2-dimethylbenzimidazole;formaldehyde;methanol
CID 90743807
1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole
CID 126704215

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).