1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C19H23N5 — CID 689389

IUPAC1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCN(CC)CCNc1cc(C)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C19H23N5/c1-4-23(5-2)11-10-21-18-12-14(3)15(13-20)19-22-16-8-6-7-9-17(16)24(18)19/h6-9,12,21H,4-5,10-11H2,1-3H3
InChIKeyMIKCSNKEGXOTPE-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.42
Rot. Bonds6

About 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 689389) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID689389
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCN(CC)CCNc1cc(C)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C19H23N5/c1-4-23(5-2)11-10-21-18-12-14(3)15(13-20)19-22-16-8-6-7-9-17(16)24(18)19/h6-9,12,21H,4-5,10-11H2,1-3H3
InChIKeyMIKCSNKEGXOTPE-UHFFFAOYSA-N
XLogP3.42
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 689389) is 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCN(CC)CCNc1cc(C)c(C#N)c2nc3ccccc3n12.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is MIKCSNKEGXOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-4-23(5-2)11-10-21-18-12-14(3)15(13-20)19-22-16-8-6-7-9-17(16)24(18)19/h6-9,12,21H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 321.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 689389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).