2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine

C22H17N3O3 — CID 54000152

IUPAC2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(C=Cc2cn3ccccc3n2)cc1OCc1ccccc1
InChIInChI=1S/C22H17N3O3/c26-25(27)20-12-10-17(14-21(20)28-16-18-6-2-1-3-7-18)9-11-19-15-24-13-5-4-8-22(24)23-19/h1-15H,16H2
InChIKeyKKZHPASUTHBTMY-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.99
Rot. Bonds6

About 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine

2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine (PubChem CID 54000152) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
PubChem CID54000152
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(C=Cc2cn3ccccc3n2)cc1OCc1ccccc1
InChIInChI=1S/C22H17N3O3/c26-25(27)20-12-10-17(14-21(20)28-16-18-6-2-1-3-7-18)9-11-19-15-24-13-5-4-8-22(24)23-19/h1-15H,16H2
InChIKeyKKZHPASUTHBTMY-UHFFFAOYSA-N
XLogP4.99
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 15684623
3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine
CID 54572134
3-[(3-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 62116760
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
2-(4-nitro-3-phenylmethoxyphenyl)acetyl chloride
CID 54561819
1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
CID 62116586
3-[[4-(hydroxymethyl)phenyl]methoxy]-4-nitrobenzaldehyde
CID 115969403
2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 3098373
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516
5-(4-nitro-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 172698949
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine (CID 54000152) is 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc(C=Cc2cn3ccccc3n2)cc1OCc1ccccc1.
What is the InChIKey of 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
The InChIKey is KKZHPASUTHBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-25(27)20-12-10-17(14-21(20)28-16-18-6-2-1-3-7-18)9-11-19-15-24-13-5-4-8-22(24)23-19/h1-15H,16H2.
What are the key properties of 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine has a molecular weight of 371.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 54000152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).