3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine

C24H21N3O3 — CID 15684623

IUPAC3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(C)n2c1
InChIInChI=1S/C24H21N3O3/c1-17-8-13-24-25-21(18(2)26(24)15-17)11-9-19-10-12-22(27(28)29)23(14-19)30-16-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3/b11-9+
InChIKeyHLXMUYXKHOGCSW-PKNBQFBNSA-N
MW399.45 g/mol
LogP5.61
Rot. Bonds6

About 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine

3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine (PubChem CID 15684623) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
PubChem CID15684623
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(C)n2c1
InChIInChI=1S/C24H21N3O3/c1-17-8-13-24-25-21(18(2)26(24)15-17)11-9-19-10-12-22(27(28)29)23(14-19)30-16-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3/b11-9+
InChIKeyHLXMUYXKHOGCSW-PKNBQFBNSA-N
XLogP5.61
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.61
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-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine
CID 54572134
2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 54000152
3-[(3-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 62116760
3-[(4-methylphenyl)methoxy]-4-nitrobenzoic acid
CID 45446282
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
2-(hydroxyiminomethyl)-7-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 76655923
1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
CID 101353139
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
CID 62116586
3-[[4-(hydroxymethyl)phenyl]methoxy]-4-nitrobenzaldehyde
CID 115969403
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine (CID 15684623) is 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine is Cc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(C)n2c1.
What is the InChIKey of 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
The InChIKey is HLXMUYXKHOGCSW-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17-8-13-24-25-21(18(2)26(24)15-17)11-9-19-10-12-22(27(28)29)23(14-19)30-16-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3/b11-9+.
What are the key properties of 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine?
3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine has a molecular weight of 399.45 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[(E)-2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 15684623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).