5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

C25H23N3O5 — CID 1122716

IUPAC5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O5/c1-15-10-11-18(28(29)30)14-19(15)23-22(16-8-6-5-7-9-16)26-25(27-23)17-12-20(31-2)24(33-4)21(13-17)32-3/h5-14H,1-4H3,(H,26,27)
InChIKeyDBCQTAFBBSPMSK-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.65
Rot. Bonds7

About 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole (PubChem CID 1122716) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
PubChem CID1122716
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O5/c1-15-10-11-18(28(29)30)14-19(15)23-22(16-8-6-5-7-9-16)26-25(27-23)17-12-20(31-2)24(33-4)21(13-17)32-3/h5-14H,1-4H3,(H,26,27)
InChIKeyDBCQTAFBBSPMSK-UHFFFAOYSA-N
XLogP5.65
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 1355348
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 1842049
5-Phenyl-4-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71718679
4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 154667056
2-(3,4,5-trimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole
CID 292010
2-(3,4-dimethoxyphenyl)-5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 1364854
2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole
CID 1914373
4-(3-chlorophenyl)-5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 1922929
2,6-dimethoxy-4-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 3327126
2-methoxy-5-(5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl)phenol
CID 3754981
Dimethyl-{4-[5-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-phenyl}-amine
CID 11121752
6-methyl-2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole
CID 57393371

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole?
The IUPAC name of 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole (CID 1122716) is 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole is COc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc(OC)c1OC.
What is the InChIKey of 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole?
The InChIKey is DBCQTAFBBSPMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15-10-11-18(28(29)30)14-19(15)23-22(16-8-6-5-7-9-16)26-25(27-23)17-12-20(31-2)24(33-4)21(13-17)32-3/h5-14H,1-4H3,(H,26,27).
What are the key properties of 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole?
5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole has a molecular weight of 445.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 1122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).