2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole

C13H10BrClFN3O — CID 106375785

IUPAC2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2c(CCl)nc3cc(F)c(Br)cc32)o1
InChIInChI=1S/C13H10BrClFN3O/c1-7-5-17-13(20-7)6-19-11-2-8(14)9(16)3-10(11)18-12(19)4-15/h2-3,5H,4,6H2,1H3
InChIKeyZAXOHVXQMIYQAX-UHFFFAOYSA-N
MW358.60 g/mol
LogP4.02
Rot. Bonds3

About 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole

2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 106375785) has the molecular formula C13H10BrClFN3O and a molecular weight of 358.60 g/mol. Its IUPAC name is 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID106375785
Molecular FormulaC13H10BrClFN3O
Molecular Weight358.60 g/mol
Exact Mass356.97
IUPAC Name2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2c(CCl)nc3cc(F)c(Br)cc32)o1
InChIInChI=1S/C13H10BrClFN3O/c1-7-5-17-13(20-7)6-19-11-2-8(14)9(16)3-10(11)18-12(19)4-15/h2-3,5H,4,6H2,1H3
InChIKeyZAXOHVXQMIYQAX-UHFFFAOYSA-N
XLogP4.02
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
2-[[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375787
6-bromo-2-(chloromethyl)-5-fluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 116739016
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420407
2-[[2-(2-chloroethyl)-5-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375633
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407214
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-methylsulfanylpropyl)benzimidazole
CID 116739118
5-[[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 103593596
2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375435
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
2-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375762
1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105419419

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole (CID 106375785) is 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(Cn2c(CCl)nc3cc(F)c(Br)cc32)o1.
What is the InChIKey of 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is ZAXOHVXQMIYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN3O/c1-7-5-17-13(20-7)6-19-11-2-8(14)9(16)3-10(11)18-12(19)4-15/h2-3,5H,4,6H2,1H3.
What are the key properties of 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 358.60 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106375785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).