2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid

C16H15N3O2 — CID 115933267

IUPAC2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1cccc(Cn2c(C)nc3cccc(C(=O)O)c32)n1
InChIInChI=1S/C16H15N3O2/c1-10-5-3-6-12(17-10)9-19-11(2)18-14-8-4-7-13(15(14)19)16(20)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyIOGFQVBCOWSTBC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.79
Rot. Bonds3

About 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid

2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 115933267) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
PubChem CID115933267
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1cccc(Cn2c(C)nc3cccc(C(=O)O)c32)n1
InChIInChI=1S/C16H15N3O2/c1-10-5-3-6-12(17-10)9-19-11(2)18-14-8-4-7-13(15(14)19)16(20)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyIOGFQVBCOWSTBC-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897309
3-(furan-2-ylmethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577090
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
CID 106106057
2-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115933343
2-methyl-3-(2-thiomorpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 106326675
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115933325
2-ethyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid (CID 115933267) is 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid is Cc1cccc(Cn2c(C)nc3cccc(C(=O)O)c32)n1.
What is the InChIKey of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is IOGFQVBCOWSTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-5-3-6-12(17-10)9-19-11(2)18-14-8-4-7-13(15(14)19)16(20)21/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid?
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).