2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile

C16H22N4 — CID 82311127

IUPAC2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
SMILESCCCCN(CC)Cc1nc2ccccc2n1CC#N
InChIInChI=1S/C16H22N4/c1-3-5-11-19(4-2)13-16-18-14-8-6-7-9-15(14)20(16)12-10-17/h6-9H,3-5,11-13H2,1-2H3
InChIKeyQPTJVIIWUNXCPE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile

2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile (PubChem CID 82311127) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
PubChem CID82311127
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
SMILESCCCCN(CC)Cc1nc2ccccc2n1CC#N
InChIInChI=1S/C16H22N4/c1-3-5-11-19(4-2)13-16-18-14-8-6-7-9-15(14)20(16)12-10-17/h6-9H,3-5,11-13H2,1-2H3
InChIKeyQPTJVIIWUNXCPE-UHFFFAOYSA-N
XLogP3.18
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311171
2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
CID 82311258
2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
CID 82311164
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311798
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
CID 39148173
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile (CID 82311127) is 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile is CCCCN(CC)Cc1nc2ccccc2n1CC#N.
What is the InChIKey of 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile?
The InChIKey is QPTJVIIWUNXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-5-11-19(4-2)13-16-18-14-8-6-7-9-15(14)20(16)12-10-17/h6-9H,3-5,11-13H2,1-2H3.
What are the key properties of 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile?
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).