2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid

C13H12N4O2 — CID 115543895

IUPAC2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1-c1ccn(C)n1
InChIInChI=1S/C13H12N4O2/c1-8-14-12-9(13(18)19)4-3-5-10(12)17(8)11-6-7-16(2)15-11/h3-7H,1-2H3,(H,18,19)
InChIKeyOXKTWGOAKFKNFI-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.77
Rot. Bonds2

About 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid

2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543895) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid
PubChem CID115543895
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1-c1ccn(C)n1
InChIInChI=1S/C13H12N4O2/c1-8-14-12-9(13(18)19)4-3-5-10(12)17(8)11-6-7-16(2)15-11/h3-7H,1-2H3,(H,18,19)
InChIKeyOXKTWGOAKFKNFI-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542830
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107638219
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
1-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542746
1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107368789
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
CID 106106057
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid (CID 115543895) is 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1-c1ccn(C)n1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is OXKTWGOAKFKNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-14-12-9(13(18)19)4-3-5-10(12)17(8)11-6-7-16(2)15-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid?
2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).