2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile

C17H20N4 — CID 104718624

IUPAC2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
SMILESCC(C1CC2CCC1C2)n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C17H20N4/c1-10(14-8-11-5-6-12(14)7-11)21-15-4-2-3-13(9-18)16(15)20-17(21)19/h2-4,10-12,14H,5-8H2,1H3,(H2,19,20)
InChIKeyFMVJWTKIJJLSGQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds2

About 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile

2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile (PubChem CID 104718624) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
PubChem CID104718624
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
SMILESCC(C1CC2CCC1C2)n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C17H20N4/c1-10(14-8-11-5-6-12(14)7-11)21-15-4-2-3-13(9-18)16(15)20-17(21)19/h2-4,10-12,14H,5-8H2,1H3,(H2,19,20)
InChIKeyFMVJWTKIJJLSGQ-UHFFFAOYSA-N
XLogP3.49
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile (CID 104718624) is 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile is CC(C1CC2CCC1C2)n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile?
The InChIKey is FMVJWTKIJJLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-10(14-8-11-5-6-12(14)7-11)21-15-4-2-3-13(9-18)16(15)20-17(21)19/h2-4,10-12,14H,5-8H2,1H3,(H2,19,20).
What are the key properties of 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile?
2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).