2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid

C12H14N2O3 — CID 165456701

IUPAC2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
SMILESCC(C)(O)Cc1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H14N2O3/c1-12(2,17)6-10-13-8-4-3-7(11(15)16)5-9(8)14-10/h3-5,17H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOZWKWIZRMJMDRX-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.57
Rot. Bonds3

About 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid

2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 165456701) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID165456701
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
SMILESCC(C)(O)Cc1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H14N2O3/c1-12(2,17)6-10-13-8-4-3-7(11(15)16)5-9(8)14-10/h3-5,17H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOZWKWIZRMJMDRX-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid;dihydrochloride
CID 44630860
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829287
2-(3-methoxy-3-oxopropyl)-3H-benzimidazole-5-carboxylic acid
CID 18740804
2-[2-(4-aminophenyl)ethyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829299
2-[2-(4-aminophenyl)ethyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 44630855
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
CID 62735128
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
CID 100586689

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid (CID 165456701) is 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid is CC(C)(O)Cc1nc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is OZWKWIZRMJMDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2,17)6-10-13-8-4-3-7(11(15)16)5-9(8)14-10/h3-5,17H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid?
2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 165456701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).