2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

C16H16N4 — CID 779734

IUPAC2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC
InChIInChI=1S/C16H16N4/c1-4-11-10(2)12(9-17)16-19-13-7-5-6-8-14(13)20(16)15(11)18-3/h5-8,18H,4H2,1-3H3
InChIKeyDSLDSOQPUFCHSI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.27
Rot. Bonds2

About 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 779734) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID779734
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC
InChIInChI=1S/C16H16N4/c1-4-11-10(2)12(9-17)16-19-13-7-5-6-8-14(13)20(16)15(11)18-3/h5-8,18H,4H2,1-3H3
InChIKeyDSLDSOQPUFCHSI-UHFFFAOYSA-N
XLogP3.27
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 779734) is 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC.
What is the InChIKey of 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is DSLDSOQPUFCHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-4-11-10(2)12(9-17)16-19-13-7-5-6-8-14(13)20(16)15(11)18-3/h5-8,18H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 779734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).