1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole

C14H7BrCl2F2N2 — CID 115509666

IUPAC1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(-c3cc(Cl)ccc3Br)c2c1
InChIInChI=1S/C14H7BrCl2F2N2/c15-9-2-1-7(17)3-11(9)21-12-5-8(18)4-10(19)14(12)20-13(21)6-16/h1-5H,6H2
InChIKeyRVAOXACWDPNOLJ-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.46
Rot. Bonds2

About 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole

1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole (PubChem CID 115509666) has the molecular formula C14H7BrCl2F2N2 and a molecular weight of 392.03 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
PubChem CID115509666
Molecular FormulaC14H7BrCl2F2N2
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(-c3cc(Cl)ccc3Br)c2c1
InChIInChI=1S/C14H7BrCl2F2N2/c15-9-2-1-7(17)3-11(9)21-12-5-8(18)4-10(19)14(12)20-13(21)6-16/h1-5H,6H2
InChIKeyRVAOXACWDPNOLJ-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.03
LogP ≤ 55.46
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-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
2-(chloromethyl)-1-(3,5-dimethylphenyl)-4,6-difluorobenzimidazole
CID 115509139
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole
CID 115509147
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
CID 115471671

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole (CID 115509666) is 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole is Fc1cc(F)c2nc(CCl)n(-c3cc(Cl)ccc3Br)c2c1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole?
The InChIKey is RVAOXACWDPNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2/c15-9-2-1-7(17)3-11(9)21-12-5-8(18)4-10(19)14(12)20-13(21)6-16/h1-5H,6H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole?
1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole has a molecular weight of 392.03 g/mol, XLogP of 5.46, 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-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole is sourced from PubChem (CID 115509666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).