N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C20H18N4O2 — CID 2999862

IUPACN,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCN(C)C=O.Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C17H11N3O.C3H7NO/c1-11-9-12(16-7-4-8-21-16)13(10-18)17-19-14-5-2-3-6-15(14)20(11)17;1-4(2)3-5/h2-9H,1H3;3H,1-2H3
InChIKeySOCNRFKSVAOXKB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.63
Rot. Bonds2

About N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 2999862) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound NameN,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID2999862
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCN(C)C=O.Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C17H11N3O.C3H7NO/c1-11-9-12(16-7-4-8-21-16)13(10-18)17-19-14-5-2-3-6-15(14)20(11)17;1-4(2)3-5/h2-9H,1H3;3H,1-2H3
InChIKeySOCNRFKSVAOXKB-UHFFFAOYSA-N
XLogP3.63
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 2999862) is N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is CN(C)C=O.Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n12.
What is the InChIKey of N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is SOCNRFKSVAOXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O.C3H7NO/c1-11-9-12(16-7-4-8-21-16)13(10-18)17-19-14-5-2-3-6-15(14)20(11)17;1-4(2)3-5/h2-9H,1H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;3-(furan-2-yl)-1-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 2999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).