1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid

C11H14N2O2 — CID 175398935

IUPAC1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid
SMILESCCN1c2ccccc2N(C)C1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-3-13-9-7-5-4-6-8(9)12(2)10(13)11(14)15/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKeyRVJALAYFQQCTDJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.37
Rot. Bonds2

About 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid

1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid (PubChem CID 175398935) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid
PubChem CID175398935
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid
SMILESCCN1c2ccccc2N(C)C1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-3-13-9-7-5-4-6-8(9)12(2)10(13)11(14)15/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKeyRVJALAYFQQCTDJ-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-2-iodo-2H-benzimidazole
CID 67548155
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
1-hexyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228920
3-methyl-1-undecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228879
1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;methyl hydrogen sulfate
CID 174843150
1-ethyl-3-methyl-2-(trifluoromethyl)-2H-benzimidazole;hydron;hexafluorophosphate
CID 174842775
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-ethyl-2-phenyl-2H-quinoline-4-carboxylic acid
CID 70170471
2-[1-[5-(2-cyanophenyl)hexyl]-3-ethyl-2H-benzimidazol-2-yl]propanoic acid
CID 70004106
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid?
The IUPAC name of 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid (CID 175398935) is 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid is CCN1c2ccccc2N(C)C1C(=O)O.
What is the InChIKey of 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid?
The InChIKey is RVJALAYFQQCTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-13-9-7-5-4-6-8(9)12(2)10(13)11(14)15/h4-7,10H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid?
1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 175398935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).