2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid

C12H14N2O3 — CID 62735128

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
SMILESCC(C)(CO)c1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H14N2O3/c1-12(2,6-15)11-13-8-4-3-7(10(16)17)5-9(8)14-11/h3-5,15H,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyDFMFDVVELHYTFS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.53
Rot. Bonds3

About 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid

2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 62735128) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
PubChem CID62735128
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
SMILESCC(C)(CO)c1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H14N2O3/c1-12(2,6-15)11-13-8-4-3-7(10(16)17)5-9(8)14-11/h3-5,15H,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyDFMFDVVELHYTFS-UHFFFAOYSA-N
XLogP1.53
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070
2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
CID 165456701
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643
2-(1-hydroxy-2-methylpropan-2-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107470356
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid (CID 62735128) is 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid is CC(C)(CO)c1nc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is DFMFDVVELHYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2,6-15)11-13-8-4-3-7(10(16)17)5-9(8)14-11/h3-5,15H,6H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid?
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 62735128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).