4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol

C23H15BrN4O2 — CID 143047836

IUPAC4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol
SMILESO=Nc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H15BrN4O2/c24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(28-30)7-2-13)22(27-23)14-3-8-17(29)9-4-14/h1-12,25,29H,(H,26,27)
InChIKeyDMHUBBDMTICLFX-UHFFFAOYSA-N
MW459.30 g/mol
LogP6.76
Rot. Bonds4

About 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol

4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol (PubChem CID 143047836) has the molecular formula C23H15BrN4O2 and a molecular weight of 459.30 g/mol. Its IUPAC name is 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol
PubChem CID143047836
Molecular FormulaC23H15BrN4O2
Molecular Weight459.30 g/mol
Exact Mass458.04
IUPAC Name4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol
SMILESO=Nc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H15BrN4O2/c24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(28-30)7-2-13)22(27-23)14-3-8-17(29)9-4-14/h1-12,25,29H,(H,26,27)
InChIKeyDMHUBBDMTICLFX-UHFFFAOYSA-N
XLogP6.76
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11180628
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 58875260
2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
CID 58882280
4-[2-(5-bromo-1H-indol-3-yl)-5-cyclohexa-1,5-dien-1-yl-1H-imidazol-4-yl]benzene-1,2-diol
CID 143655561
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
CID 157395864
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)-1H-indole;3-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)-2-methyl-1H-indole
CID 158769518
5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 159592652
CID 89277694
CID 89277694
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103102
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline
CID 139235827

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol?
The IUPAC name of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol (CID 143047836) is 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol?
The canonical SMILES for 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol is O=Nc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol?
The InChIKey is DMHUBBDMTICLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O2/c24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(28-30)7-2-13)22(27-23)14-3-8-17(29)9-4-14/h1-12,25,29H,(H,26,27).
What are the key properties of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol?
4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol has a molecular weight of 459.30 g/mol, XLogP of 6.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol is sourced from PubChem (CID 143047836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).