2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole

C24H19N3O6 — CID 1333027

IUPAC2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
SMILESCOc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cc(OC)c3c(c2)OCO3)nc1-c1ccccc1
InChIInChI=1S/C24H19N3O6/c1-30-18-9-8-16(27(28)29)12-17(18)22-21(14-6-4-3-5-7-14)25-24(26-22)15-10-19(31-2)23-20(11-15)32-13-33-23/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyGDPNTFDSCNKLPA-UHFFFAOYSA-N
MW445.43 g/mol
LogP5.06
Rot. Bonds6

About 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole

2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole (PubChem CID 1333027) has the molecular formula C24H19N3O6 and a molecular weight of 445.43 g/mol. Its IUPAC name is 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
PubChem CID1333027
Molecular FormulaC24H19N3O6
Molecular Weight445.43 g/mol
Exact Mass445.13
IUPAC Name2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
SMILESCOc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cc(OC)c3c(c2)OCO3)nc1-c1ccccc1
InChIInChI=1S/C24H19N3O6/c1-30-18-9-8-16(27(28)29)12-17(18)22-21(14-6-4-3-5-7-14)25-24(26-22)15-10-19(31-2)23-20(11-15)32-13-33-23/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyGDPNTFDSCNKLPA-UHFFFAOYSA-N
XLogP5.06
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 3135745
2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 2859398
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 4921922
3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
CID 23988493
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103102
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
1-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 31054643
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole (CID 1333027) is 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole is COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cc(OC)c3c(c2)OCO3)nc1-c1ccccc1.
What is the InChIKey of 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
The InChIKey is GDPNTFDSCNKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6/c1-30-18-9-8-16(27(28)29)12-17(18)22-21(14-6-4-3-5-7-14)25-24(26-22)15-10-19(31-2)23-20(11-15)32-13-33-23/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole has a molecular weight of 445.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 1333027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).