2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole

C13H9ClF2N2S — CID 113325666

IUPAC2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
SMILESFc1cc(F)c2nc(CCl)n(Cc3cccs3)c2c1
InChIInChI=1S/C13H9ClF2N2S/c14-6-12-17-13-10(16)4-8(15)5-11(13)18(12)7-9-2-1-3-19-9/h1-5H,6-7H2
InChIKeyDFHYXADJXMKHEP-UHFFFAOYSA-N
MW298.75 g/mol
LogP4.16
Rot. Bonds3

About 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole

2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 113325666) has the molecular formula C13H9ClF2N2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
PubChem CID113325666
Molecular FormulaC13H9ClF2N2S
Molecular Weight298.75 g/mol
Exact Mass298.01
IUPAC Name2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
SMILESFc1cc(F)c2nc(CCl)n(Cc3cccs3)c2c1
InChIInChI=1S/C13H9ClF2N2S/c14-6-12-17-13-10(16)4-8(15)5-11(13)18(12)7-9-2-1-3-19-9/h1-5H,6-7H2
InChIKeyDFHYXADJXMKHEP-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)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

1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509558
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080
2-(chloromethyl)-4,6-difluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 115509254
2-[[2-(chloromethyl)-4,6-difluorobenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 115509344
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041
5-(chloromethyl)-1,3-dimethyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 79297314
2-(chloromethyl)-4,6-difluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008907
2-(chloromethyl)-4,6-difluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 115509514
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
2-(2-chloroethyl)-4,6-difluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 115509074

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole (CID 113325666) is 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole is Fc1cc(F)c2nc(CCl)n(Cc3cccs3)c2c1.
What is the InChIKey of 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is DFHYXADJXMKHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2S/c14-6-12-17-13-10(16)4-8(15)5-11(13)18(12)7-9-2-1-3-19-9/h1-5H,6-7H2.
What are the key properties of 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole?
2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 298.75 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 113325666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).