N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine

C20H14N4O2 — CID 830448

IUPACN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1
InChIInChI=1S/C20H14N4O2/c25-24(26)18-8-3-5-15(11-18)13-21-17-7-4-6-16(12-17)19-14-23-10-2-1-9-20(23)22-19/h1-14H/b21-13+
InChIKeyIKKPEEURDXDNGX-FYJGNVAPSA-N
MW342.36 g/mol
LogP4.66
Rot. Bonds4

About N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine

N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine (PubChem CID 830448) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine
PubChem CID830448
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC NameN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1
InChIInChI=1S/C20H14N4O2/c25-24(26)18-8-3-5-15(11-18)13-21-17-7-4-6-16(12-17)19-14-23-10-2-1-9-20(23)22-19/h1-14H/b21-13+
InChIKeyIKKPEEURDXDNGX-FYJGNVAPSA-N
XLogP4.66
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-nitrophenyl)-1-[(3-nitrophenyl)methylideneamino]imidazol-2-amine
CID 23768461
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3-nitrophenyl)methanimine
CID 1018484
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
3-[(3-nitrophenyl)methylideneamino]benzoic acid
CID 961392
1-(4-chlorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanimine
CID 917162
2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234056
8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966609
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
N-(3-nitrophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50854313
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 15995520
N,1-bis(3-phenylphenyl)methanimine
CID 141288310
2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 3098373

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine (CID 830448) is N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine?
The InChIKey is IKKPEEURDXDNGX-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-24(26)18-8-3-5-15(11-18)13-21-17-7-4-6-16(12-17)19-14-23-10-2-1-9-20(23)22-19/h1-14H/b21-13+.
What are the key properties of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine?
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine has a molecular weight of 342.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 830448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).