6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole

C15H19BrClFN2O — CID 114943358

IUPAC6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole
SMILESCCOC(C)(C)Cn1c(CCCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H19BrClFN2O/c1-4-21-15(2,3)9-20-13-7-10(16)11(18)8-12(13)19-14(20)5-6-17/h7-8H,4-6,9H2,1-3H3
InChIKeyIJPYYPZJNJTYTM-UHFFFAOYSA-N
MW377.69 g/mol
LogP4.53
Rot. Bonds6

About 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole

6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole (PubChem CID 114943358) has the molecular formula C15H19BrClFN2O and a molecular weight of 377.69 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole
PubChem CID114943358
Molecular FormulaC15H19BrClFN2O
Molecular Weight377.69 g/mol
Exact Mass376.04
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole
SMILESCCOC(C)(C)Cn1c(CCCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H19BrClFN2O/c1-4-21-15(2,3)9-20-13-7-10(16)11(18)8-12(13)19-14(20)5-6-17/h7-8H,4-6,9H2,1-3H3
InChIKeyIJPYYPZJNJTYTM-UHFFFAOYSA-N
XLogP4.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.69
LogP ≤ 54.53
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

6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole
CID 114943389
2-(2-chloroethyl)-3-(2-ethoxy-2-methylpropyl)benzimidazole-5-carbonitrile
CID 114943412
6-bromo-2-(2-chloroethyl)-5-fluoro-1-pentan-3-ylbenzimidazole
CID 116738614
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
6-bromo-2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluorobenzimidazole
CID 116739134
5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
CID 114943244
6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 116738645
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
2-(1-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluoro-6-methylbenzimidazole
CID 103594085
6-bromo-2-(2-chloroethyl)-1-(1,3-dimethylpyrazol-4-yl)-5-fluorobenzimidazole
CID 102806400
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
2-(1-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-6-fluoro-5-iodobenzimidazole
CID 114943333

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole (CID 114943358) is 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole is CCOC(C)(C)Cn1c(CCCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole?
The InChIKey is IJPYYPZJNJTYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClFN2O/c1-4-21-15(2,3)9-20-13-7-10(16)11(18)8-12(13)19-14(20)5-6-17/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole has a molecular weight of 377.69 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole is sourced from PubChem (CID 114943358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).