1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole

C16H13BrClFN2 — CID 107601622

IUPAC1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2-c1c(F)cccc1Br
InChIInChI=1S/C16H13BrClFN2/c1-9-6-7-14-13(8-9)20-16(10(2)18)21(14)15-11(17)4-3-5-12(15)19/h3-8,10H,1-2H3
InChIKeyNTRMHOWEIDSYEO-UHFFFAOYSA-N
MW367.65 g/mol
LogP5.54
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole

1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole (PubChem CID 107601622) has the molecular formula C16H13BrClFN2 and a molecular weight of 367.65 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
PubChem CID107601622
Molecular FormulaC16H13BrClFN2
Molecular Weight367.65 g/mol
Exact Mass365.99
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2-c1c(F)cccc1Br
InChIInChI=1S/C16H13BrClFN2/c1-9-6-7-14-13(8-9)20-16(10(2)18)21(14)15-11(17)4-3-5-12(15)19/h3-8,10H,1-2H3
InChIKeyNTRMHOWEIDSYEO-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-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
1-(2-bromo-5-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107638114
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66088494
1-(4-bromo-3-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107614194
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
CID 115470912
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
1-(2-bromo-5-methylphenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 82746511

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole (CID 107601622) is 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(C(C)Cl)n2-c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole?
The InChIKey is NTRMHOWEIDSYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2/c1-9-6-7-14-13(8-9)20-16(10(2)18)21(14)15-11(17)4-3-5-12(15)19/h3-8,10H,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole?
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole 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 1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole is sourced from PubChem (CID 107601622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).