1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole

C14H8BrClF2N2 — CID 107638125

IUPAC1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
SMILESFc1ccc(Br)c(-n2c(CCl)nc3c(F)cccc32)c1
InChIInChI=1S/C14H8BrClF2N2/c15-9-5-4-8(17)6-12(9)20-11-3-1-2-10(18)14(11)19-13(20)7-16/h1-6H,7H2
InChIKeyPIMFAAFAWRYODK-UHFFFAOYSA-N
MW357.59 g/mol
LogP4.80
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole

1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole (PubChem CID 107638125) has the molecular formula C14H8BrClF2N2 and a molecular weight of 357.59 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
PubChem CID107638125
Molecular FormulaC14H8BrClF2N2
Molecular Weight357.59 g/mol
Exact Mass355.95
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
SMILESFc1ccc(Br)c(-n2c(CCl)nc3c(F)cccc32)c1
InChIInChI=1S/C14H8BrClF2N2/c15-9-5-4-8(17)6-12(9)20-11-3-1-2-10(18)14(11)19-13(20)7-16/h1-6H,7H2
InChIKeyPIMFAAFAWRYODK-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 54.80
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

1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 65499437
1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509666
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
CID 60789245
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
CID 107637832
2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
CID 60789752
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
6-(2-bromo-5-fluorophenyl)-5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 107638160

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole (CID 107638125) is 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole is Fc1ccc(Br)c(-n2c(CCl)nc3c(F)cccc32)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The InChIKey is PIMFAAFAWRYODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2N2/c15-9-5-4-8(17)6-12(9)20-11-3-1-2-10(18)14(11)19-13(20)7-16/h1-6H,7H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole has a molecular weight of 357.59 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole is sourced from PubChem (CID 107638125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).