6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole

C17H22BrClN2 — CID 65344662

IUPAC6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESClCCc1nc2ccc(Br)cc2n1CCC1CCCCC1
InChIInChI=1S/C17H22BrClN2/c18-14-6-7-15-16(12-14)21(17(20-15)8-10-19)11-9-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyVTHSJEPAROPLOS-UHFFFAOYSA-N
MW369.73 g/mol
LogP5.55
Rot. Bonds5

About 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole

6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 65344662) has the molecular formula C17H22BrClN2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
PubChem CID65344662
Molecular FormulaC17H22BrClN2
Molecular Weight369.73 g/mol
Exact Mass368.07
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESClCCc1nc2ccc(Br)cc2n1CCC1CCCCC1
InChIInChI=1S/C17H22BrClN2/c18-14-6-7-15-16(12-14)21(17(20-15)8-10-19)11-9-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyVTHSJEPAROPLOS-UHFFFAOYSA-N
XLogP5.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253
2-(2-chloroethyl)-1-(3-cyclopentylpropyl)-6-fluorobenzimidazole
CID 106005321
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479145
2-[[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 81042075
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole
CID 62531724
6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
CID 116738831
6-bromo-2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole
CID 65344877
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole
CID 83018928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole (CID 65344662) is 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole is ClCCc1nc2ccc(Br)cc2n1CCC1CCCCC1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is VTHSJEPAROPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN2/c18-14-6-7-15-16(12-14)21(17(20-15)8-10-19)11-9-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 369.73 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 65344662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).