2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole

C22H21FN6 — CID 139028312

IUPAC2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESFc1ccc(-c2ccc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1
InChIInChI=1S/C22H21FN6/c23-17-7-5-16(6-8-17)18-9-10-22(27-26-18)29-13-11-28(12-14-29)15-21-24-19-3-1-2-4-20(19)25-21/h1-10H,11-15H2,(H,24,25)
InChIKeyBJQOHGIYOHFQFL-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.48
Rot. Bonds4

About 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 139028312) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID139028312
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESFc1ccc(-c2ccc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1
InChIInChI=1S/C22H21FN6/c23-17-7-5-16(6-8-17)18-9-10-22(27-26-18)29-13-11-28(12-14-29)15-21-24-19-3-1-2-4-20(19)25-21/h1-10H,11-15H2,(H,24,25)
InChIKeyBJQOHGIYOHFQFL-UHFFFAOYSA-N
XLogP3.48
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-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

2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
CID 108776824
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
CID 108777251
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 110187118
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 166601916
(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
N-(1H-benzimidazol-2-yl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071277
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole (CID 139028312) is 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole is Fc1ccc(-c2ccc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1.
What is the InChIKey of 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is BJQOHGIYOHFQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-17-7-5-16(6-8-17)18-9-10-22(27-26-18)29-13-11-28(12-14-29)15-21-24-19-3-1-2-4-20(19)25-21/h1-10H,11-15H2,(H,24,25).
What are the key properties of 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 388.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 139028312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).