2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile

C12H15N5 — CID 113444999

IUPAC2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
SMILESCN(C)CCn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C12H15N5/c1-16(2)6-7-17-10-5-3-4-9(8-13)11(10)15-12(17)14/h3-5H,6-7H2,1-2H3,(H2,14,15)
InChIKeyZLMQMKIRXOUVGH-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.05
Rot. Bonds3

About 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile

2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile (PubChem CID 113444999) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
PubChem CID113444999
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
SMILESCN(C)CCn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C12H15N5/c1-16(2)6-7-17-10-5-3-4-9(8-13)11(10)15-12(17)14/h3-5H,6-7H2,1-2H3,(H2,14,15)
InChIKeyZLMQMKIRXOUVGH-UHFFFAOYSA-N
XLogP1.05
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923
2-[4-cyano-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 104718580
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
CID 104718973
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
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
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
CID 104718908
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile (CID 113444999) is 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile is CN(C)CCn1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile?
The InChIKey is ZLMQMKIRXOUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-16(2)6-7-17-10-5-3-4-9(8-13)11(10)15-12(17)14/h3-5H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile?
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile has a molecular weight of 229.29 g/mol, XLogP of 1.05, 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-(dimethylamino)ethyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 113444999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).