2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole

C23H19N3O3 — CID 91101253

IUPAC2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
SMILESCOc1cccc(-c2nccn2Cc2ccc([N+](=O)[O-])cc2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O3/c1-29-21-9-5-8-18(14-21)23-24-12-13-25(23)16-19-10-11-20(26(27)28)15-22(19)17-6-3-2-4-7-17/h2-15H,16H2,1H3
InChIKeyHMKPDAPFXVAHSD-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.18
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole

2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole (PubChem CID 91101253) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
PubChem CID91101253
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
SMILESCOc1cccc(-c2nccn2Cc2ccc([N+](=O)[O-])cc2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O3/c1-29-21-9-5-8-18(14-21)23-24-12-13-25(23)16-19-10-11-20(26(27)28)15-22(19)17-6-3-2-4-7-17/h2-15H,16H2,1H3
InChIKeyHMKPDAPFXVAHSD-UHFFFAOYSA-N
XLogP5.18
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.18
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

2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
1-[(2-chlorophenyl)methyl]-2-(5-methoxy-2-phenylphenyl)imidazole
CID 90791888
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
CID 88772999
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
CID 82562245
1-bromo-2-(3-methoxyphenyl)imidazole
CID 175313145

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole?
The IUPAC name of 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole (CID 91101253) is 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole is COc1cccc(-c2nccn2Cc2ccc([N+](=O)[O-])cc2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole?
The InChIKey is HMKPDAPFXVAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-21-9-5-8-18(14-21)23-24-12-13-25(23)16-19-10-11-20(26(27)28)15-22(19)17-6-3-2-4-7-17/h2-15H,16H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole?
2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole has a molecular weight of 385.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole is sourced from PubChem (CID 91101253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).