2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole

C14H8Cl3FN2 — CID 43660685

IUPAC2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl3FN2/c15-7-13-19-10-6-8(18)4-5-11(10)20(13)12-3-1-2-9(16)14(12)17/h1-6H,7H2
InChIKeyYKPVTXSTFWFGBF-UHFFFAOYSA-N
MW329.59 g/mol
LogP5.21
Rot. Bonds2

About 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole

2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole (PubChem CID 43660685) has the molecular formula C14H8Cl3FN2 and a molecular weight of 329.59 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
PubChem CID43660685
Molecular FormulaC14H8Cl3FN2
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl3FN2/c15-7-13-19-10-6-8(18)4-5-11(10)20(13)12-3-1-2-9(16)14(12)17/h1-6H,7H2
InChIKeyYKPVTXSTFWFGBF-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.59
LogP ≤ 55.21
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

2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79292227
2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
CID 62811846
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole (CID 43660685) is 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole is Fc1ccc2c(c1)nc(CCl)n2-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole?
The InChIKey is YKPVTXSTFWFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FN2/c15-7-13-19-10-6-8(18)4-5-11(10)20(13)12-3-1-2-9(16)14(12)17/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole?
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole has a molecular weight of 329.59 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole is sourced from PubChem (CID 43660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).