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

C16H13BrClFN2 — CID 66088494

IUPAC5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-n2c(C(C)Cl)nc3cc(Br)c(F)cc32)c1
InChIInChI=1S/C16H13BrClFN2/c1-9-4-3-5-11(6-9)21-15-8-13(19)12(17)7-14(15)20-16(21)10(2)18/h3-8,10H,1-2H3
InChIKeyPELIQRUSXWVRHL-UHFFFAOYSA-N
MW367.65 g/mol
LogP5.54
Rot. Bonds2

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

5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole (PubChem CID 66088494) has the molecular formula C16H13BrClFN2 and a molecular weight of 367.65 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
PubChem CID66088494
Molecular FormulaC16H13BrClFN2
Molecular Weight367.65 g/mol
Exact Mass365.99
IUPAC Name5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-n2c(C(C)Cl)nc3cc(Br)c(F)cc32)c1
InChIInChI=1S/C16H13BrClFN2/c1-9-4-3-5-11(6-9)21-15-8-13(19)12(17)7-14(15)20-16(21)10(2)18/h3-8,10H,1-2H3
InChIKeyPELIQRUSXWVRHL-UHFFFAOYSA-N
XLogP5.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.65
LogP ≤ 55.54
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

5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66110811
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 104780064
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
CID 66087496
2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
CID 103593292
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
1-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772
1-(4-bromo-3-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107614194
2-(1-chloroethyl)-1-(3-fluorophenyl)-5-iodobenzimidazole
CID 66081816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole (CID 66088494) is 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole is Cc1cccc(-n2c(C(C)Cl)nc3cc(Br)c(F)cc32)c1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole?
The InChIKey is PELIQRUSXWVRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2/c1-9-4-3-5-11(6-9)21-15-8-13(19)12(17)7-14(15)20-16(21)10(2)18/h3-8,10H,1-2H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole has a molecular weight of 367.65 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 66088494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).