2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol

C21H15N5O3 — CID 137254443

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C21H15N5O3/c27-18-12-11-16(26(28)29)13-17(18)24-25-21-22-19(14-7-3-1-4-8-14)20(23-21)15-9-5-2-6-10-15/h1-13,27H,(H,22,23)/b25-24+
InChIKeyNJIHHQQGTHFVBC-OCOZRVBESA-N
MW385.38 g/mol
LogP5.77
Rot. Bonds5

About 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol

2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol (PubChem CID 137254443) has the molecular formula C21H15N5O3 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol
PubChem CID137254443
Molecular FormulaC21H15N5O3
Molecular Weight385.38 g/mol
Exact Mass385.12
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C21H15N5O3/c27-18-12-11-16(26(28)29)13-17(18)24-25-21-22-19(14-7-3-1-4-8-14)20(23-21)15-9-5-2-6-10-15/h1-13,27H,(H,22,23)/b25-24+
InChIKeyNJIHHQQGTHFVBC-OCOZRVBESA-N
XLogP5.77
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
2-(methylideneamino)-4-nitrophenol
CID 153394573
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid
CID 135645739
6-ethyl-5-(2-hydroxy-4-nitrophenyl)-4-phenyl-1H-pyrimidine-2-thione
CID 3460960
3-[5-[4-[4-[2-(3-hydroxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-4-(4-nitrophenyl)-1H-imidazol-2-yl]phenol
CID 135510187
chromium(3+);4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenolate
CID 170839863
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 3568326
4-[4-(7-nitro-9-oxofluoren-2-yl)-5-phenyl-1H-imidazol-2-yl]benzoate
CID 4217920

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol (CID 137254443) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol?
The InChIKey is NJIHHQQGTHFVBC-OCOZRVBESA-N. The full InChI is InChI=1S/C21H15N5O3/c27-18-12-11-16(26(28)29)13-17(18)24-25-21-22-19(14-7-3-1-4-8-14)20(23-21)15-9-5-2-6-10-15/h1-13,27H,(H,22,23)/b25-24+.
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol?
2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol has a molecular weight of 385.38 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol is sourced from PubChem (CID 137254443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).