2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole

C11H12ClFN2 — CID 84791133

IUPAC2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(Cl)nc2cc(F)ccc21
InChIInChI=1S/C11H12ClFN2/c1-7(2)6-15-10-4-3-8(13)5-9(10)14-11(15)12/h3-5,7H,6H2,1-2H3
InChIKeyZKIVBNGZVKGJPF-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole

2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole (PubChem CID 84791133) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
PubChem CID84791133
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(Cl)nc2cc(F)ccc21
InChIInChI=1S/C11H12ClFN2/c1-7(2)6-15-10-4-3-8(13)5-9(10)14-11(15)12/h3-5,7H,6H2,1-2H3
InChIKeyZKIVBNGZVKGJPF-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 84804304
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977
2-(1-chloroethyl)-5-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 63960208
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
CID 113477854
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264434
3-chloro-5-fluoro-1-(2-methylpropyl)indazole
CID 105484197
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
3-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 43666167
N-[2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 43659969
2-(1-chloroethyl)-5-fluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763471
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole (CID 84791133) is 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(Cl)nc2cc(F)ccc21.
What is the InChIKey of 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole?
The InChIKey is ZKIVBNGZVKGJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-7(2)6-15-10-4-3-8(13)5-9(10)14-11(15)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole?
2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole has a molecular weight of 226.68 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 84791133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).