2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile

C18H10N4O — CID 138373926

IUPAC2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile
SMILESN#Cc1cc2c(-c3ccccc3)c3n(c2cc1C#N)CC(=O)N3
InChIInChI=1S/C18H10N4O/c19-8-12-6-14-15(7-13(12)9-20)22-10-16(23)21-18(22)17(14)11-4-2-1-3-5-11/h1-7H,10H2,(H,21,23)
InChIKeyVKINURIAALHUSD-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.00
Rot. Bonds1

About 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile

2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile (PubChem CID 138373926) has the molecular formula C18H10N4O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile.

Molecular Properties

Compound Name2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile
PubChem CID138373926
Molecular FormulaC18H10N4O
Molecular Weight298.31 g/mol
Exact Mass298.09
IUPAC Name2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile
SMILESN#Cc1cc2c(-c3ccccc3)c3n(c2cc1C#N)CC(=O)N3
InChIInChI=1S/C18H10N4O/c19-8-12-6-14-15(7-13(12)9-20)22-10-16(23)21-18(22)17(14)11-4-2-1-3-5-11/h1-7H,10H2,(H,21,23)
InChIKeyVKINURIAALHUSD-UHFFFAOYSA-N
XLogP3.00
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile?
The IUPAC name of 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile (CID 138373926) is 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile.
What is the SMILES notation for 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile?
The canonical SMILES for 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile is N#Cc1cc2c(-c3ccccc3)c3n(c2cc1C#N)CC(=O)N3.
What is the InChIKey of 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile?
The InChIKey is VKINURIAALHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O/c19-8-12-6-14-15(7-13(12)9-20)22-10-16(23)21-18(22)17(14)11-4-2-1-3-5-11/h1-7H,10H2,(H,21,23).
What are the key properties of 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile?
2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile has a molecular weight of 298.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-1,3-dihydroimidazo[1,2-a]indole-6,7-dicarbonitrile is sourced from PubChem (CID 138373926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).