5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile

C16H22N4 — CID 106804115

IUPAC5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCn1cnc2ccccc21
InChIInChI=1S/C16H22N4/c1-3-16(12-17,19-4-2)10-7-11-20-13-18-14-8-5-6-9-15(14)20/h5-6,8-9,13,19H,3-4,7,10-11H2,1-2H3
InChIKeyFQCCWQXIXOSPPD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.10
Rot. Bonds7

About 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile

5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106804115) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106804115
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCn1cnc2ccccc21
InChIInChI=1S/C16H22N4/c1-3-16(12-17,19-4-2)10-7-11-20-13-18-14-8-5-6-9-15(14)20/h5-6,8-9,13,19H,3-4,7,10-11H2,1-2H3
InChIKeyFQCCWQXIXOSPPD-UHFFFAOYSA-N
XLogP3.10
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106804117
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886
1-(6-chlorohexyl)benzimidazole
CID 62228178
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine
CID 65246957
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
2-[3-(benzimidazol-1-yl)propylamino]-5-chlorobenzonitrile
CID 86890516
5-[[3-(benzimidazol-1-yl)propylamino]methyl]thiophene-3-carbonitrile
CID 79538680
1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031480

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile (CID 106804115) is 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCn1cnc2ccccc21.
What is the InChIKey of 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is FQCCWQXIXOSPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-16(12-17,19-4-2)10-7-11-20-13-18-14-8-5-6-9-15(14)20/h5-6,8-9,13,19H,3-4,7,10-11H2,1-2H3.
What are the key properties of 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 270.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106804115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).