3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine

C30H25N3O4 — CID 54572134

IUPAC3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine
SMILESCc1c(C=Cc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)nc2cc(OCc3ccccc3)ccn12
InChIInChI=1S/C30H25N3O4/c1-22-27(31-30-19-26(16-17-32(22)30)36-20-24-8-4-2-5-9-24)14-12-23-13-15-28(33(34)35)29(18-23)37-21-25-10-6-3-7-11-25/h2-19H,20-21H2,1H3
InChIKeyZYASXFGOMGHFAX-UHFFFAOYSA-N
MW491.55 g/mol
LogP6.88
Rot. Bonds9

About 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine

3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine (PubChem CID 54572134) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine
PubChem CID54572134
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine
SMILESCc1c(C=Cc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)nc2cc(OCc3ccccc3)ccn12
InChIInChI=1S/C30H25N3O4/c1-22-27(31-30-19-26(16-17-32(22)30)36-20-24-8-4-2-5-9-24)14-12-23-13-15-28(33(34)35)29(18-23)37-21-25-10-6-3-7-11-25/h2-19H,20-21H2,1H3
InChIKeyZYASXFGOMGHFAX-UHFFFAOYSA-N
XLogP6.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 54000152
3-[(3-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 62116760
(4E)-2-methyl-4-[(2-nitro-5-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 135051857
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
CID 68839040
CID 68839040
4-methoxy-3-[[5-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]-2-nitrophenyl]methoxy]benzaldehyde
CID 5255407
1-nitro-2-[(E)-2-nitro(213C)ethenyl]-4-phenylmethoxybenzene
CID 169444921
2-(4-nitro-3-phenylmethoxyphenyl)acetyl chloride
CID 54561819
1-O-ethyl 2-O-(2-nitro-5-phenylmethoxyphenyl) oxalate
CID 11725097
1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
CID 62116586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine?
The IUPAC name of 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine (CID 54572134) is 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine is Cc1c(C=Cc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)nc2cc(OCc3ccccc3)ccn12.
What is the InChIKey of 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine?
The InChIKey is ZYASXFGOMGHFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-22-27(31-30-19-26(16-17-32(22)30)36-20-24-8-4-2-5-9-24)14-12-23-13-15-28(33(34)35)29(18-23)37-21-25-10-6-3-7-11-25/h2-19H,20-21H2,1H3.
What are the key properties of 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine?
3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine has a molecular weight of 491.55 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 54572134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).