2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid

C15H14N4O2 — CID 115543398

IUPAC2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nccc(Cn2c(C)nc3c(C(=O)O)cccc32)n1
InChIInChI=1S/C15H14N4O2/c1-9-16-7-6-11(17-9)8-19-10(2)18-14-12(15(20)21)4-3-5-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyGNOJHWCUPBBIML-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid

2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 115543398) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
PubChem CID115543398
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nccc(Cn2c(C)nc3c(C(=O)O)cccc32)n1
InChIInChI=1S/C15H14N4O2/c1-9-16-7-6-11(17-9)8-19-10(2)18-14-12(15(20)21)4-3-5-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyGNOJHWCUPBBIML-UHFFFAOYSA-N
XLogP2.19
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543397
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 106407505
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
1-(3-hydroxy-4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 106248054
1-(3-ethoxypropyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332181
1-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 105419786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid (CID 115543398) is 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid is Cc1nccc(Cn2c(C)nc3c(C(=O)O)cccc32)n1.
What is the InChIKey of 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is GNOJHWCUPBBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-16-7-6-11(17-9)8-19-10(2)18-14-12(15(20)21)4-3-5-13(14)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid?
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).