5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile

C16H18N4 — CID 65254930

IUPAC5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1c(CC#N)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-16(2,12-18)9-5-11-20-14-7-4-3-6-13(14)19-15(20)8-10-17/h3-4,6-7H,5,8-9,11H2,1-2H3
InChIKeyVKODOILASHJRSU-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.43
Rot. Bonds5

About 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile

5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 65254930) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
PubChem CID65254930
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1c(CC#N)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-16(2,12-18)9-5-11-20-14-7-4-3-6-13(14)19-15(20)8-10-17/h3-4,6-7H,5,8-9,11H2,1-2H3
InChIKeyVKODOILASHJRSU-UHFFFAOYSA-N
XLogP3.43
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile
CID 63639152
2-[1-(2-hydroxybutyl)benzimidazol-2-yl]acetonitrile
CID 63638431
6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63107297
2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
CID 106804293
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile
CID 63641020
2-(1-but-3-en-2-ylbenzimidazol-2-yl)acetonitrile
CID 63637927
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile (CID 65254930) is 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1c(CC#N)nc2ccccc21.
What is the InChIKey of 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is VKODOILASHJRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-16(2,12-18)9-5-11-20-14-7-4-3-6-13(14)19-15(20)8-10-17/h3-4,6-7H,5,8-9,11H2,1-2H3.
What are the key properties of 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile?
5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 266.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65254930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).