2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile

C16H21N5 — CID 104718908

IUPAC2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
SMILESCC(Cn1c(N)nc2c(C#N)cccc21)N1CCCCC1
InChIInChI=1S/C16H21N5/c1-12(20-8-3-2-4-9-20)11-21-14-7-5-6-13(10-17)15(14)19-16(21)18/h5-7,12H,2-4,8-9,11H2,1H3,(H2,18,19)
InChIKeyALCPKMKIQLWFEZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile

2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile (PubChem CID 104718908) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
PubChem CID104718908
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
SMILESCC(Cn1c(N)nc2c(C#N)cccc21)N1CCCCC1
InChIInChI=1S/C16H21N5/c1-12(20-8-3-2-4-9-20)11-21-14-7-5-6-13(10-17)15(14)19-16(21)18/h5-7,12H,2-4,8-9,11H2,1H3,(H2,18,19)
InChIKeyALCPKMKIQLWFEZ-UHFFFAOYSA-N
XLogP2.36
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
7-methyl-3-(2-piperidin-1-ylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79288959
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-(chloromethyl)-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carbonitrile
CID 104719490

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile (CID 104718908) is 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile is CC(Cn1c(N)nc2c(C#N)cccc21)N1CCCCC1.
What is the InChIKey of 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile?
The InChIKey is ALCPKMKIQLWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12(20-8-3-2-4-9-20)11-21-14-7-5-6-13(10-17)15(14)19-16(21)18/h5-7,12H,2-4,8-9,11H2,1H3,(H2,18,19).
What are the key properties of 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile?
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).