5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole

C13H9BrClFN2S — CID 66351096

IUPAC5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2-c1ccsc1
InChIInChI=1S/C13H9BrClFN2S/c14-9-5-11-12(6-10(9)16)18(8-2-4-19-7-8)13(17-11)1-3-15/h2,4-7H,1,3H2
InChIKeyUKZKSMAHJNQBLJ-UHFFFAOYSA-N
MW359.65 g/mol
LogP4.77
Rot. Bonds3

About 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole

5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole (PubChem CID 66351096) has the molecular formula C13H9BrClFN2S and a molecular weight of 359.65 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
PubChem CID66351096
Molecular FormulaC13H9BrClFN2S
Molecular Weight359.65 g/mol
Exact Mass357.93
IUPAC Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2-c1ccsc1
InChIInChI=1S/C13H9BrClFN2S/c14-9-5-11-12(6-10(9)16)18(8-2-4-19-7-8)13(17-11)1-3-15/h2,4-7H,1,3H2
InChIKeyUKZKSMAHJNQBLJ-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
2-(2-chloroethyl)-5-iodo-1-thiophen-3-ylbenzimidazole
CID 66351083
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine
CID 66349762
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole (CID 66351096) is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole is Fc1cc2c(cc1Br)nc(CCCl)n2-c1ccsc1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole?
The InChIKey is UKZKSMAHJNQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2S/c14-9-5-11-12(6-10(9)16)18(8-2-4-19-7-8)13(17-11)1-3-15/h2,4-7H,1,3H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole?
5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole has a molecular weight of 359.65 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole is sourced from PubChem (CID 66351096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).