2-ethyl-3-methylbenzimidazole-5-carboxylic acid

C11H12N2O2 — CID 53409133

IUPAC2-ethyl-3-methylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C
InChIInChI=1S/C11H12N2O2/c1-3-10-12-8-5-4-7(11(14)15)6-9(8)13(10)2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyWJZGJEZBXGXYLL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.83
Rot. Bonds2

About 2-ethyl-3-methylbenzimidazole-5-carboxylic acid

2-ethyl-3-methylbenzimidazole-5-carboxylic acid (PubChem CID 53409133) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethyl-3-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-methylbenzimidazole-5-carboxylic acid
PubChem CID53409133
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-ethyl-3-methylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C
InChIInChI=1S/C11H12N2O2/c1-3-10-12-8-5-4-7(11(14)15)6-9(8)13(10)2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyWJZGJEZBXGXYLL-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 83967736
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
CID 57260132
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
CID 82791085
2-ethyl-3-(3-methoxy-3-oxopropyl)benzimidazole-5-carboxylic acid
CID 82790769
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 82790766
3-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106097995

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-methylbenzimidazole-5-carboxylic acid (CID 53409133) is 2-ethyl-3-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-methylbenzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1C.
What is the InChIKey of 2-ethyl-3-methylbenzimidazole-5-carboxylic acid?
The InChIKey is WJZGJEZBXGXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-10-12-8-5-4-7(11(14)15)6-9(8)13(10)2/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-methylbenzimidazole-5-carboxylic acid?
2-ethyl-3-methylbenzimidazole-5-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 53409133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).