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

C17H24N4 — CID 82311258

IUPAC2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
SMILESCCCCN(CC)C(C)c1nc2ccccc2n1CC#N
InChIInChI=1S/C17H24N4/c1-4-6-12-20(5-2)14(3)17-19-15-9-7-8-10-16(15)21(17)13-11-18/h7-10,14H,4-6,12-13H2,1-3H3
InChIKeyYDESPGZPQIFCQF-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.74
Rot. Bonds7

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

2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile (PubChem CID 82311258) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
PubChem CID82311258
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
SMILESCCCCN(CC)C(C)c1nc2ccccc2n1CC#N
InChIInChI=1S/C17H24N4/c1-4-6-12-20(5-2)14(3)17-19-15-9-7-8-10-16(15)21(17)13-11-18/h7-10,14H,4-6,12-13H2,1-3H3
InChIKeyYDESPGZPQIFCQF-UHFFFAOYSA-N
XLogP3.74
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
CID 82310709
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311252
2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311249
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-(1-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817160
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile (CID 82311258) is 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile is CCCCN(CC)C(C)c1nc2ccccc2n1CC#N.
What is the InChIKey of 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile?
The InChIKey is YDESPGZPQIFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-6-12-20(5-2)14(3)17-19-15-9-7-8-10-16(15)21(17)13-11-18/h7-10,14H,4-6,12-13H2,1-3H3.
What are the key properties of 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile?
2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile has a molecular weight of 284.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).