6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole

C18H17Cl2FN4 — CID 134814241

IUPAC6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
SMILESFc1ccc(Cn2c(N3CCNCC3)nc3ccc(Cl)cc32)cc1Cl
InChIInChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
InChIKeyJKACBCFXETVIIK-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.94
Rot. Bonds3

About 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole

6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole (PubChem CID 134814241) has the molecular formula C18H17Cl2FN4 and a molecular weight of 379.27 g/mol. Its IUPAC name is 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
PubChem CID134814241
Molecular FormulaC18H17Cl2FN4
Molecular Weight379.27 g/mol
Exact Mass378.08
IUPAC Name6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
SMILESFc1ccc(Cn2c(N3CCNCC3)nc3ccc(Cl)cc32)cc1Cl
InChIInChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
InChIKeyJKACBCFXETVIIK-UHFFFAOYSA-N
XLogP3.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole 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 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole (CID 134814241) is 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole is Fc1ccc(Cn2c(N3CCNCC3)nc3ccc(Cl)cc32)cc1Cl.
What is the InChIKey of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole?
The InChIKey is JKACBCFXETVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2.
What are the key properties of 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole?
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole has a molecular weight of 379.27 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 134814241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).