5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole

C15H10BrClF2N2 — CID 63795004

IUPAC5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
SMILESFc1ccc(F)c(Cn2c(CCl)nc3cc(Br)ccc32)c1
InChIInChI=1S/C15H10BrClF2N2/c16-10-1-4-14-13(6-10)20-15(7-17)21(14)8-9-5-11(18)2-3-12(9)19/h1-6H,7-8H2
InChIKeyWWYDQOVGIXGXLT-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.86
Rot. Bonds3

About 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole

5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole (PubChem CID 63795004) has the molecular formula C15H10BrClF2N2 and a molecular weight of 371.61 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
PubChem CID63795004
Molecular FormulaC15H10BrClF2N2
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
SMILESFc1ccc(F)c(Cn2c(CCl)nc3cc(Br)ccc32)c1
InChIInChI=1S/C15H10BrClF2N2/c16-10-1-4-14-13(6-10)20-15(7-17)21(14)8-9-5-11(18)2-3-12(9)19/h1-6H,7-8H2
InChIKeyWWYDQOVGIXGXLT-UHFFFAOYSA-N
XLogP4.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)benzimidazole
CID 63547204
6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 65344878
5-bromo-2-(chloromethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
CID 115991031
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
CID 43660334
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
1-[(4-bromo-2-fluorophenyl)methyl]-2-(2,2-dimethylbutyl)-5-fluorobenzimidazole
CID 57142587
1-[(4-bromophenyl)methyl]-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111591
5-bromo-2-(chloromethyl)-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 63295484
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
5-bromo-2-(chloromethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 62117759
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole (CID 63795004) is 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole is Fc1ccc(F)c(Cn2c(CCl)nc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole?
The InChIKey is WWYDQOVGIXGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2/c16-10-1-4-14-13(6-10)20-15(7-17)21(14)8-9-5-11(18)2-3-12(9)19/h1-6H,7-8H2.
What are the key properties of 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole?
5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole has a molecular weight of 371.61 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 63795004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).