2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid

C12H14N2O4 — CID 46308149

IUPAC2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
SMILESCC(O)c1nc2cc(C(=O)O)ccc2n1CCO
InChIInChI=1S/C12H14N2O4/c1-7(16)11-13-9-6-8(12(17)18)2-3-10(9)14(11)4-5-15/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18)
InChIKeyLLWZMRNCHFPVFW-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.78
Rot. Bonds4

About 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid

2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 46308149) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
PubChem CID46308149
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
SMILESCC(O)c1nc2cc(C(=O)O)ccc2n1CCO
InChIInChI=1S/C12H14N2O4/c1-7(16)11-13-9-6-8(12(17)18)2-3-10(9)14(11)4-5-15/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18)
InChIKeyLLWZMRNCHFPVFW-UHFFFAOYSA-N
XLogP0.78
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 63227149
1-(4-hydroxy-2-methylbutyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 66107156
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
2-propan-2-yl-1-(2-sulfamoylethyl)benzimidazole-5-carboxylic acid
CID 43552592
1-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106176235
2-butan-2-yl-1-[2-(diethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 46309354
1-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322914
2-butan-2-yl-1-(2-ethoxyethyl)benzimidazole-5-carboxylic acid
CID 46309219
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330
2-(hydroxymethyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxylic acid
CID 46308423

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid (CID 46308149) is 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid is CC(O)c1nc2cc(C(=O)O)ccc2n1CCO.
What is the InChIKey of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is LLWZMRNCHFPVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(16)11-13-9-6-8(12(17)18)2-3-10(9)14(11)4-5-15/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 46308149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).