5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole

C15H10BrClF2N2 — CID 66087694

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
SMILESCc1c(F)cccc1-n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C15H10BrClF2N2/c1-8-10(18)3-2-4-13(8)21-14-6-11(19)9(16)5-12(14)20-15(21)7-17/h2-6H,7H2,1H3
InChIKeyCIACLVPARNHHAD-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.11
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole (PubChem CID 66087694) has the molecular formula C15H10BrClF2N2 and a molecular weight of 371.61 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
PubChem CID66087694
Molecular FormulaC15H10BrClF2N2
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
SMILESCc1c(F)cccc1-n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C15H10BrClF2N2/c1-8-10(18)3-2-4-13(8)21-14-6-11(19)9(16)5-12(14)20-15(21)7-17/h2-6H,7H2,1H3
InChIKeyCIACLVPARNHHAD-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.11
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-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
5-bromo-2-(chloromethyl)-1-(1,3-dimethylpyrazol-4-yl)-6-fluorobenzimidazole
CID 102806455
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111
6-bromo-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole (CID 66087694) is 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole is Cc1c(F)cccc1-n1c(CCl)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is CIACLVPARNHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2/c1-8-10(18)3-2-4-13(8)21-14-6-11(19)9(16)5-12(14)20-15(21)7-17/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole has a molecular weight of 371.61 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 66087694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).