2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile

C15H19N5 — CID 104718640

IUPAC2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
SMILESCCN1CCCC1Cn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H19N5/c1-2-19-8-4-6-12(19)10-20-13-7-3-5-11(9-16)14(13)18-15(20)17/h3,5,7,12H,2,4,6,8,10H2,1H3,(H2,17,18)
InChIKeyCXEFOPUXGLPEPK-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile

2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile (PubChem CID 104718640) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
PubChem CID104718640
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
SMILESCCN1CCCC1Cn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H19N5/c1-2-19-8-4-6-12(19)10-20-13-7-3-5-11(9-16)14(13)18-15(20)17/h3,5,7,12H,2,4,6,8,10H2,1H3,(H2,17,18)
InChIKeyCXEFOPUXGLPEPK-UHFFFAOYSA-N
XLogP1.97
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(oxolan-3-ylmethyl)benzimidazole-4-carbonitrile
CID 113445020
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
CID 104718908
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperazin-1-yl]benzonitrile
CID 124758817
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzimidazole
CID 60790466
2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile (CID 104718640) is 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile is CCN1CCCC1Cn1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is CXEFOPUXGLPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-19-8-4-6-12(19)10-20-13-7-3-5-11(9-16)14(13)18-15(20)17/h3,5,7,12H,2,4,6,8,10H2,1H3,(H2,17,18).
What are the key properties of 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile?
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).