2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid

C17H24N2O2 — CID 115542872

IUPAC2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid
SMILESCC(C)C(C)n1c(C(C)(C)C)nc2c(C(=O)O)cccc21
InChIInChI=1S/C17H24N2O2/c1-10(2)11(3)19-13-9-7-8-12(15(20)21)14(13)18-16(19)17(4,5)6/h7-11H,1-6H3,(H,20,21)
InChIKeyLOZRECKDOLUYSH-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.25
Rot. Bonds3

About 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid

2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 115542872) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid
PubChem CID115542872
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid
SMILESCC(C)C(C)n1c(C(C)(C)C)nc2c(C(=O)O)cccc21
InChIInChI=1S/C17H24N2O2/c1-10(2)11(3)19-13-9-7-8-12(15(20)21)14(13)18-16(19)17(4,5)6/h7-11H,1-6H3,(H,20,21)
InChIKeyLOZRECKDOLUYSH-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-propylbenzimidazole-4-carboxylic acid
CID 113332177
1-(1-amino-1-oxopropan-2-yl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115543098
1-pentan-3-yl-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115542985
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115543871
2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
CID 115542843
2-tert-butyl-1-(3-methoxypropyl)benzimidazole-4-carboxylic acid
CID 115543023
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-4-carboxylic acid
CID 115543040
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
2-tert-butyl-1-(oxolan-3-yl)benzimidazole-4-carboxylic acid
CID 115543941
1-(3,3-dimethylbutan-2-yl)benzotriazole-4-carboxylic acid
CID 113457829
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid (CID 115542872) is 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid is CC(C)C(C)n1c(C(C)(C)C)nc2c(C(=O)O)cccc21.
What is the InChIKey of 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is LOZRECKDOLUYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10(2)11(3)19-13-9-7-8-12(15(20)21)14(13)18-16(19)17(4,5)6/h7-11H,1-6H3,(H,20,21).
What are the key properties of 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid?
2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).