3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid

C15H16N4O2 — CID 107464237

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCCc1nn(C)cc1-n1c(C)nc2cccc(C(=O)O)c21
InChIInChI=1S/C15H16N4O2/c1-4-11-13(8-18(3)17-11)19-9(2)16-12-7-5-6-10(14(12)19)15(20)21/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyPNHRVUFLDBQCST-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.33
Rot. Bonds3

About 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid

3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 107464237) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID107464237
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCCc1nn(C)cc1-n1c(C)nc2cccc(C(=O)O)c21
InChIInChI=1S/C15H16N4O2/c1-4-11-13(8-18(3)17-11)19-9(2)16-12-7-5-6-10(14(12)19)15(20)21/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyPNHRVUFLDBQCST-UHFFFAOYSA-N
XLogP2.33
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932661
3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932667
3-(2-chloro-4-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932773
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
3-(4-bromophenyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115932648
3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107530329
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
CID 106106057
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
CID 115933267
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid (CID 107464237) is 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid is CCc1nn(C)cc1-n1c(C)nc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is PNHRVUFLDBQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-11-13(8-18(3)17-11)19-9(2)16-12-7-5-6-10(14(12)19)15(20)21/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 107464237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).