bis(1-butylbenzimidazole);ethane

C28H46N4 — CID 142164287

IUPACbis(1-butylbenzimidazole);ethane
SMILESCC.CC.CC.CCCCn1cnc2ccccc21.CCCCn1cnc2ccccc21
InChIInChI=1S/2C11H14N2.3C2H6/c2*1-2-3-8-13-9-12-10-6-4-5-7-11(10)13;3*1-2/h2*4-7,9H,2-3,8H2,1H3;3*1-2H3
InChIKeyGOTSJSPIBCEKBN-UHFFFAOYSA-N
MW438.70 g/mol
LogP8.75
Rot. Bonds6

About bis(1-butylbenzimidazole);ethane

bis(1-butylbenzimidazole);ethane (PubChem CID 142164287) has the molecular formula C28H46N4 and a molecular weight of 438.70 g/mol. Its IUPAC name is bis(1-butylbenzimidazole);ethane.

Molecular Properties

Compound Namebis(1-butylbenzimidazole);ethane
PubChem CID142164287
Molecular FormulaC28H46N4
Molecular Weight438.70 g/mol
Exact Mass438.37
IUPAC Namebis(1-butylbenzimidazole);ethane
SMILESCC.CC.CC.CCCCn1cnc2ccccc21.CCCCn1cnc2ccccc21
InChIInChI=1S/2C11H14N2.3C2H6/c2*1-2-3-8-13-9-12-10-6-4-5-7-11(10)13;3*1-2/h2*4-7,9H,2-3,8H2,1H3;3*1-2H3
InChIKeyGOTSJSPIBCEKBN-UHFFFAOYSA-N
XLogP8.75
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
1-butyl-5-fluorobenzimidazole
CID 134239298
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane
CID 59630445

Frequently Asked Questions

What is the IUPAC name of bis(1-butylbenzimidazole);ethane?
The IUPAC name of bis(1-butylbenzimidazole);ethane (CID 142164287) is bis(1-butylbenzimidazole);ethane.
What is the SMILES notation for bis(1-butylbenzimidazole);ethane?
The canonical SMILES for bis(1-butylbenzimidazole);ethane is CC.CC.CC.CCCCn1cnc2ccccc21.CCCCn1cnc2ccccc21.
What is the InChIKey of bis(1-butylbenzimidazole);ethane?
The InChIKey is GOTSJSPIBCEKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2.3C2H6/c2*1-2-3-8-13-9-12-10-6-4-5-7-11(10)13;3*1-2/h2*4-7,9H,2-3,8H2,1H3;3*1-2H3.
What are the key properties of bis(1-butylbenzimidazole);ethane?
bis(1-butylbenzimidazole);ethane has a molecular weight of 438.70 g/mol, XLogP of 8.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butylbenzimidazole);ethane is sourced from PubChem (CID 142164287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).