6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole

C15H20BrClN2O — CID 114943389

IUPAC6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole
SMILESCCOC(C)(C)Cn1c(CCCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H20BrClN2O/c1-4-20-15(2,3)10-19-13-9-11(16)5-6-12(13)18-14(19)7-8-17/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyRUDDDQUWSDEXFR-UHFFFAOYSA-N
MW359.70 g/mol
LogP4.40
Rot. Bonds6

About 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole

6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole (PubChem CID 114943389) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole
PubChem CID114943389
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole
SMILESCCOC(C)(C)Cn1c(CCCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H20BrClN2O/c1-4-20-15(2,3)10-19-13-9-11(16)5-6-12(13)18-14(19)7-8-17/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyRUDDDQUWSDEXFR-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 54.40
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

2-(2-chloroethyl)-3-(2-ethoxy-2-methylpropyl)benzimidazole-5-carbonitrile
CID 114943412
6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole
CID 114943358
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
CID 65344548
6-bromo-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 65346156
6-bromo-2-(chloromethyl)-1-(2-methyl-2-methylsulfanylpropyl)benzimidazole
CID 113479176
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 65346016
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346418
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
6-bromo-2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole
CID 65344877

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole (CID 114943389) is 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole is CCOC(C)(C)Cn1c(CCCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole?
The InChIKey is RUDDDQUWSDEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-4-20-15(2,3)10-19-13-9-11(16)5-6-12(13)18-14(19)7-8-17/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole has a molecular weight of 359.70 g/mol, XLogP of 4.40, 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)benzimidazole is sourced from PubChem (CID 114943389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).