5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile

C16H11N5 — CID 155562998

IUPAC5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(-c2ccccc2)c(C#N)c2n1C(=C)CN2
InChIInChI=1S/C16H11N5/c1-10-9-20-16-13(8-18)14(11-5-3-2-4-6-11)12(7-17)15(19)21(10)16/h2-6,19-20H,1,9H2/b19-15+
InChIKeyOQMDFJGRHVZRKN-XDJHFCHBSA-N
MW273.30 g/mol
LogP2.27
Rot. Bonds1

About 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile

5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile (PubChem CID 155562998) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile.

Molecular Properties

Compound Name5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile
PubChem CID155562998
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(-c2ccccc2)c(C#N)c2n1C(=C)CN2
InChIInChI=1S/C16H11N5/c1-10-9-20-16-13(8-18)14(11-5-3-2-4-6-11)12(7-17)15(19)21(10)16/h2-6,19-20H,1,9H2/b19-15+
InChIKeyOQMDFJGRHVZRKN-XDJHFCHBSA-N
XLogP2.27
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile?
The IUPAC name of 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile (CID 155562998) is 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile.
What is the SMILES notation for 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile?
The canonical SMILES for 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile is [H]/N=c1\c(C#N)c(-c2ccccc2)c(C#N)c2n1C(=C)CN2.
What is the InChIKey of 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile?
The InChIKey is OQMDFJGRHVZRKN-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H11N5/c1-10-9-20-16-13(8-18)14(11-5-3-2-4-6-11)12(7-17)15(19)21(10)16/h2-6,19-20H,1,9H2/b19-15+.
What are the key properties of 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile?
5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-3-methylidene-7-phenyl-1,2-dihydroimidazo[1,2-a]pyridine-6,8-dicarbonitrile is sourced from PubChem (CID 155562998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).