2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole

C12H12N4 — CID 19585710

IUPAC2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole
SMILESCc1c(-c2nc3ccccc3[nH]2)cnn1C
InChIInChI=1S/C12H12N4/c1-8-9(7-13-16(8)2)12-14-10-5-3-4-6-11(10)15-12/h3-7H,1-2H3,(H,14,15)
InChIKeyAADZJKRQQGSLMB-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.27
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole

2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole (PubChem CID 19585710) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole
PubChem CID19585710
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole
SMILESCc1c(-c2nc3ccccc3[nH]2)cnn1C
InChIInChI=1S/C12H12N4/c1-8-9(7-13-16(8)2)12-14-10-5-3-4-6-11(10)15-12/h3-7H,1-2H3,(H,14,15)
InChIKeyAADZJKRQQGSLMB-UHFFFAOYSA-N
XLogP2.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole (CID 19585710) is 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole is Cc1c(-c2nc3ccccc3[nH]2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole?
The InChIKey is AADZJKRQQGSLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-9(7-13-16(8)2)12-14-10-5-3-4-6-11(10)15-12/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole?
2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole has a molecular weight of 212.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 19585710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).