2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid

C15H20N2O2 — CID 82790543

IUPAC2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
SMILESCCC(C(C)C)n1c(C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20N2O2/c1-5-13(9(2)3)17-10(4)16-12-7-6-11(15(18)19)8-14(12)17/h6-9,13H,5H2,1-4H3,(H,18,19)
InChIKeyUVXMJCJXYDFMRC-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid

2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid (PubChem CID 82790543) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
PubChem CID82790543
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
SMILESCCC(C(C)C)n1c(C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20N2O2/c1-5-13(9(2)3)17-10(4)16-12-7-6-11(15(18)19)8-14(12)17/h6-9,13H,5H2,1-4H3,(H,18,19)
InChIKeyUVXMJCJXYDFMRC-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzimidazole-5-carboxylic acid
CID 103112857
3-(1-methoxy-3-methyl-1-oxobutan-2-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 82774585
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82773786
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325
2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
CID 82773871
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
3-pentan-3-yl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790987
2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
CID 82770584
3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
CID 82790905
3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 18680858
2-methyl-3-[(2-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 113464060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid (CID 82790543) is 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid is CCC(C(C)C)n1c(C)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid?
The InChIKey is UVXMJCJXYDFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-13(9(2)3)17-10(4)16-12-7-6-11(15(18)19)8-14(12)17/h6-9,13H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid?
2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).