2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid

C13H16N2O3 — CID 117373419

IUPAC2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1nc2ccc(C(O)C(=O)O)cc2[nH]1
InChIInChI=1S/C13H16N2O3/c1-13(2,3)12-14-8-5-4-7(6-9(8)15-12)10(16)11(17)18/h4-6,10,16H,1-3H3,(H,14,15)(H,17,18)
InChIKeyPQWJHXQUDHKADW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.98
Rot. Bonds2

About 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid

2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid (PubChem CID 117373419) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid
PubChem CID117373419
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1nc2ccc(C(O)C(=O)O)cc2[nH]1
InChIInChI=1S/C13H16N2O3/c1-13(2,3)12-14-8-5-4-7(6-9(8)15-12)10(16)11(17)18/h4-6,10,16H,1-3H3,(H,14,15)(H,17,18)
InChIKeyPQWJHXQUDHKADW-UHFFFAOYSA-N
XLogP1.98
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
CID 84696917
3-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid
CID 82295246
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane
CID 157095049
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
CID 62735128

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid (CID 117373419) is 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid is CC(C)(C)c1nc2ccc(C(O)C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid?
The InChIKey is PQWJHXQUDHKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)12-14-8-5-4-7(6-9(8)15-12)10(16)11(17)18/h4-6,10,16H,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid?
2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117373419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).