2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole

C14H12BrClFN3S — CID 116739157

IUPAC2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)n1c(CCCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H12BrClFN3S/c1-8(14-18-4-5-21-14)20-12-6-9(15)10(17)7-11(12)19-13(20)2-3-16/h4-8H,2-3H2,1H3
InChIKeyZKJRAZFUFVKCHP-UHFFFAOYSA-N
MW388.69 g/mol
LogP4.78
Rot. Bonds4

About 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole

2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 116739157) has the molecular formula C14H12BrClFN3S and a molecular weight of 388.69 g/mol. Its IUPAC name is 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID116739157
Molecular FormulaC14H12BrClFN3S
Molecular Weight388.69 g/mol
Exact Mass386.96
IUPAC Name2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)n1c(CCCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H12BrClFN3S/c1-8(14-18-4-5-21-14)20-12-6-9(15)10(17)7-11(12)19-13(20)2-3-16/h4-8H,2-3H2,1H3
InChIKeyZKJRAZFUFVKCHP-UHFFFAOYSA-N
XLogP4.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.69
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66110246
6-bromo-2-(2-chloroethyl)-5-fluoro-1-pentan-3-ylbenzimidazole
CID 116738614
2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
CID 79292688
2-[1-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-5-methyl-1,3-thiazole
CID 116739306
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
6-bromo-2-(2-chloroethyl)-1-(1-cyclopropylbutan-2-yl)-5-fluorobenzimidazole
CID 116739125
6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 116738768
2-[2-[6-bromo-2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739068
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(1-methoxybutan-2-yl)benzimidazole
CID 66088085
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
6-bromo-2-(chloromethyl)-5-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 116738903
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylbenzimidazole
CID 103593961

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole (CID 116739157) is 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)n1c(CCCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is ZKJRAZFUFVKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN3S/c1-8(14-18-4-5-21-14)20-12-6-9(15)10(17)7-11(12)19-13(20)2-3-16/h4-8H,2-3H2,1H3.
What are the key properties of 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole?
2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 388.69 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 116739157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).