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

C15H16N4O2 — CID 106106057

IUPAC2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1CCc1ccn(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-16-13-5-3-4-12(15(20)21)14(13)19(10)9-7-11-6-8-18(2)17-11/h3-6,8H,7,9H2,1-2H3,(H,20,21)
InChIKeyAOPRQHKRSWMUJW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.02
Rot. Bonds4

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

2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid (PubChem CID 106106057) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
PubChem CID106106057
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1CCc1ccn(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-16-13-5-3-4-12(15(20)21)14(13)19(10)9-7-11-6-8-18(2)17-11/h3-6,8H,7,9H2,1-2H3,(H,20,21)
InChIKeyAOPRQHKRSWMUJW-UHFFFAOYSA-N
XLogP2.02
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
2-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115933345
2-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115933343
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxylic acid
CID 115933267
2-methyl-3-(2-thiomorpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 106326675
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
3-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 112577417
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115933325
2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
1-[2-(1-methylpyrazol-3-yl)ethyl]benzotriazole-4-carboxylic acid
CID 106105286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid (CID 106106057) is 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1CCc1ccn(C)n1.
What is the InChIKey of 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid?
The InChIKey is AOPRQHKRSWMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-16-13-5-3-4-12(15(20)21)14(13)19(10)9-7-11-6-8-18(2)17-11/h3-6,8H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid?
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106106057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).