2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole

C14H7ClF4N2 — CID 62811846

IUPAC2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
SMILESFc1cc(F)c(F)c(-n2c(CCl)nc3cc(F)ccc32)c1
InChIInChI=1S/C14H7ClF4N2/c15-6-13-20-10-4-7(16)1-2-11(10)21(13)12-5-8(17)3-9(18)14(12)19/h1-5H,6H2
InChIKeyQUMVUQCEVNQNJL-UHFFFAOYSA-N
MW314.67 g/mol
LogP4.32
Rot. Bonds2

About 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole

2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole (PubChem CID 62811846) has the molecular formula C14H7ClF4N2 and a molecular weight of 314.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
PubChem CID62811846
Molecular FormulaC14H7ClF4N2
Molecular Weight314.67 g/mol
Exact Mass314.02
IUPAC Name2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
SMILESFc1cc(F)c(F)c(-n2c(CCl)nc3cc(F)ccc32)c1
InChIInChI=1S/C14H7ClF4N2/c15-6-13-20-10-4-7(16)1-2-11(10)21(13)12-5-8(17)3-9(18)14(12)19/h1-5H,6H2
InChIKeyQUMVUQCEVNQNJL-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.67
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
2-(chloromethyl)-6-fluoro-1-(2,3,4-trifluorophenyl)benzimidazole
CID 62378416
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole (CID 62811846) is 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole is Fc1cc(F)c(F)c(-n2c(CCl)nc3cc(F)ccc32)c1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole?
The InChIKey is QUMVUQCEVNQNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2/c15-6-13-20-10-4-7(16)1-2-11(10)21(13)12-5-8(17)3-9(18)14(12)19/h1-5H,6H2.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole has a molecular weight of 314.67 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole is sourced from PubChem (CID 62811846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).