2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium

C21H28N5+ — CID 6956900

IUPAC2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](CC)CC
InChIInChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3/p+1
InChIKeyDMKNXKIUSPUYQP-UHFFFAOYSA-O
MW350.49 g/mol
LogP2.57
Rot. Bonds7

About 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium

2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium (PubChem CID 6956900) has the molecular formula C21H28N5+ and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium
PubChem CID6956900
Molecular FormulaC21H28N5+
Molecular Weight350.49 g/mol
Exact Mass350.23
IUPAC Name2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](CC)CC
InChIInChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3/p+1
InChIKeyDMKNXKIUSPUYQP-UHFFFAOYSA-O
XLogP2.57
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium with MolForge

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Related Compounds

1-[2-(diethylamino)ethylamino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 948175
3-[(4-cyano-3-methyl-2-pentylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethylazanium
CID 7103559
2-butyl-3-methyl-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3797318
2-butyl-3-methyl-1-(2-phenylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5189737
2-ethyl-3-methyl-1-[[(1S)-1-phenylethyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1034944
3-methyl-2-(3-methylbutyl)-1-(3-methylbutylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3410257
1-[2-(dimethylamino)ethylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3332921
2-(2-chloroethyl)-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3797062
1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6220082
2-[(2-chlorophenyl)methyl]-3-methyl-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3710072
2-benzyl-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 989046
1-[2-(dimethylamino)ethylamino]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 664345

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium?
The IUPAC name of 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium (CID 6956900) is 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium?
The canonical SMILES for 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium is CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](CC)CC.
What is the InChIKey of 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium?
The InChIKey is DMKNXKIUSPUYQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3/p+1.
What are the key properties of 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium?
2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium has a molecular weight of 350.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium is sourced from PubChem (CID 6956900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).