2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile

C14H17N5 — CID 104718799

IUPAC2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
SMILESCN1CCCC(n2c(N)nc3c(C#N)cccc32)C1
InChIInChI=1S/C14H17N5/c1-18-7-3-5-11(9-18)19-12-6-2-4-10(8-15)13(12)17-14(19)16/h2,4,6,11H,3,5,7,9H2,1H3,(H2,16,17)
InChIKeyJJEGAUWXUBJMBI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.76
Rot. Bonds1

About 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile

2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile (PubChem CID 104718799) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
PubChem CID104718799
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
SMILESCN1CCCC(n2c(N)nc3c(C#N)cccc32)C1
InChIInChI=1S/C14H17N5/c1-18-7-3-5-11(9-18)19-12-6-2-4-10(8-15)13(12)17-14(19)16/h2,4,6,11H,3,5,7,9H2,1H3,(H2,16,17)
InChIKeyJJEGAUWXUBJMBI-UHFFFAOYSA-N
XLogP1.76
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
CID 104718653
2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104718943
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719031
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640
4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
CID 65472995
2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carbonitrile
CID 104719425
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 61222380
2-(2-chloroethyl)-1-cyclobutylbenzimidazole-4-carbonitrile
CID 113445072
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
CID 104719006

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile (CID 104718799) is 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile is CN1CCCC(n2c(N)nc3c(C#N)cccc32)C1.
What is the InChIKey of 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile?
The InChIKey is JJEGAUWXUBJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-18-7-3-5-11(9-18)19-12-6-2-4-10(8-15)13(12)17-14(19)16/h2,4,6,11H,3,5,7,9H2,1H3,(H2,16,17).
What are the key properties of 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile?
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).