2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole

C12H11FN4 — CID 60977715

IUPAC2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole
SMILESCc1c(-c2nc3ccc(F)cc3[nH]2)cnn1C
InChIInChI=1S/C12H11FN4/c1-7-9(6-14-17(7)2)12-15-10-4-3-8(13)5-11(10)16-12/h3-6H,1-2H3,(H,15,16)
InChIKeyVCSYJBWUQARTJZ-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.41
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole

2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole (PubChem CID 60977715) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole
PubChem CID60977715
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole
SMILESCc1c(-c2nc3ccc(F)cc3[nH]2)cnn1C
InChIInChI=1S/C12H11FN4/c1-7-9(6-14-17(7)2)12-15-10-4-3-8(13)5-11(10)16-12/h3-6H,1-2H3,(H,15,16)
InChIKeyVCSYJBWUQARTJZ-UHFFFAOYSA-N
XLogP2.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-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

Related Compounds

6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
CID 60980673
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 46986195
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
CID 65198564
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
CID 55061195

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole (CID 60977715) is 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole is Cc1c(-c2nc3ccc(F)cc3[nH]2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole?
The InChIKey is VCSYJBWUQARTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-7-9(6-14-17(7)2)12-15-10-4-3-8(13)5-11(10)16-12/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole?
2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole has a molecular weight of 230.25 g/mol, XLogP of 2.41, 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)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 60977715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).