2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid

C16H15N3O2 — CID 116532988

IUPAC2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCCc1nc(-c2nc3ccccc3n2C)ccc1C(=O)O
InChIInChI=1S/C16H15N3O2/c1-3-11-10(16(20)21)8-9-13(17-11)15-18-12-6-4-5-7-14(12)19(15)2/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyLICPIBORMUXNJW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.90
Rot. Bonds3

About 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid

2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 116532988) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID116532988
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCCc1nc(-c2nc3ccccc3n2C)ccc1C(=O)O
InChIInChI=1S/C16H15N3O2/c1-3-11-10(16(20)21)8-9-13(17-11)15-18-12-6-4-5-7-14(12)19(15)2/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyLICPIBORMUXNJW-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
8-methyl-2-(1-methylbenzimidazol-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid
CID 129027681
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61336692
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646243
[6-(1-methylbenzimidazol-2-yl)pyridazin-3-yl]hydrazine
CID 62783874

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid (CID 116532988) is 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid is CCc1nc(-c2nc3ccccc3n2C)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is LICPIBORMUXNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-11-10(16(20)21)8-9-13(17-11)15-18-12-6-4-5-7-14(12)19(15)2/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid?
2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116532988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).