2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole

C19H21FN4 — CID 24849789

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCN(c3ccccc3F)CC2)nc2ccccc21
InChIInChI=1S/C19H21FN4/c1-22-18-9-5-3-7-16(18)21-19(22)14-23-10-12-24(13-11-23)17-8-4-2-6-15(17)20/h2-9H,10-14H2,1H3
InChIKeyXDTJVJUQXMJOQA-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.03
Rot. Bonds3

About 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 24849789) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID24849789
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
SMILESCn1c(CN2CCN(c3ccccc3F)CC2)nc2ccccc21
InChIInChI=1S/C19H21FN4/c1-22-18-9-5-3-7-16(18)21-19(22)14-23-10-12-24(13-11-23)17-8-4-2-6-15(17)20/h2-9H,10-14H2,1H3
InChIKeyXDTJVJUQXMJOQA-UHFFFAOYSA-N
XLogP3.03
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole 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

1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
CID 46225320
2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzoic acid
CID 171780051
ethanol;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-(trifluoromethyl)benzenethiol
CID 167443695
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
4-methyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443603
4-ethoxy-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443750
hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide
CID 167443549
7-ethyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 2987688
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062561
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
4-(2,5-difluorophenyl)-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperazine-1-carboximidamide
CID 109451131

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole (CID 24849789) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole is Cn1c(CN2CCN(c3ccccc3F)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is XDTJVJUQXMJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-22-18-9-5-3-7-16(18)21-19(22)14-23-10-12-24(13-11-23)17-8-4-2-6-15(17)20/h2-9H,10-14H2,1H3.
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole has a molecular weight of 324.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 24849789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).