3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid

C15H16N4O2 — CID 115933573

IUPAC3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1Cn1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C15H16N4O2/c1-9-12(10(2)18(3)17-9)7-19-8-16-13-6-4-5-11(14(13)19)15(20)21/h4-6,8H,7H2,1-3H3,(H,20,21)
InChIKeyUVWFUBZNFIDNHC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.13
Rot. Bonds3

About 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid

3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 115933573) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid
PubChem CID115933573
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1Cn1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C15H16N4O2/c1-9-12(10(2)18(3)17-9)7-19-8-16-13-6-4-5-11(14(13)19)15(20)21/h4-6,8H,7H2,1-3H3,(H,20,21)
InChIKeyUVWFUBZNFIDNHC-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 112577417
3-(6-hydroxyhexyl)benzimidazole-4-carboxylic acid
CID 114008925
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
CID 112577165
3-[3-(methylamino)-3-oxopropyl]benzimidazole-4-carboxylic acid
CID 112577230
3-[(3-bromophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115933018
3-(1,2-oxazol-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 112577400
3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
CID 106339628
3-[(2,5-difluorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115933385

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid (CID 115933573) is 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid is Cc1nn(C)c(C)c1Cn1cnc2cccc(C(=O)O)c21.
What is the InChIKey of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is UVWFUBZNFIDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-12(10(2)18(3)17-9)7-19-8-16-13-6-4-5-11(14(13)19)15(20)21/h4-6,8H,7H2,1-3H3,(H,20,21).
What are the key properties of 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid?
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).