4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile

C17H10N4 — CID 12911598

IUPAC4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3n3ccnc23)cc1
InChIInChI=1S/C17H10N4/c18-11-12-5-7-13(8-6-12)16-17-19-9-10-21(17)15-4-2-1-3-14(15)20-16/h1-10H
InChIKeyMHRWPEFORHPSQT-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.42
Rot. Bonds1

About 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile

4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile (PubChem CID 12911598) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
PubChem CID12911598
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3n3ccnc23)cc1
InChIInChI=1S/C17H10N4/c18-11-12-5-7-13(8-6-12)16-17-19-9-10-21(17)15-4-2-1-3-14(15)20-16/h1-10H
InChIKeyMHRWPEFORHPSQT-UHFFFAOYSA-N
XLogP3.42
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645890
5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
CID 176898342
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
CID 15113967
4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 154940310
4-(3-formylquinoxalin-2-yl)benzonitrile
CID 71559845
pyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 82401393
4-[3-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]benzonitrile
CID 153354917
4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 175805741
N-(2-bromophenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 12911686
4-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]phenyl]benzonitrile
CID 153355034

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile?
The IUPAC name of 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile (CID 12911598) is 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile.
What is the SMILES notation for 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile?
The canonical SMILES for 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile is N#Cc1ccc(-c2nc3ccccc3n3ccnc23)cc1.
What is the InChIKey of 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile?
The InChIKey is MHRWPEFORHPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-11-12-5-7-13(8-6-12)16-17-19-9-10-21(17)15-4-2-1-3-14(15)20-16/h1-10H.
What are the key properties of 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile?
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile is sourced from PubChem (CID 12911598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).