[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol

C25H20BrN3O2 — CID 58319601

IUPAC[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol
SMILESCOc1ccccc1-c1nc(-c2c[nH]c3ccc(Br)cc23)[nH]c1-c1ccccc1CO
InChIInChI=1S/C25H20BrN3O2/c1-31-22-9-5-4-8-18(22)24-23(17-7-3-2-6-15(17)14-30)28-25(29-24)20-13-27-21-11-10-16(26)12-19(20)21/h2-13,27,30H,14H2,1H3,(H,28,29)
InChIKeyNWZOGADBELETHM-UHFFFAOYSA-N
MW474.36 g/mol
LogP6.16
Rot. Bonds5

About [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol

[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol (PubChem CID 58319601) has the molecular formula C25H20BrN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol
PubChem CID58319601
Molecular FormulaC25H20BrN3O2
Molecular Weight474.36 g/mol
Exact Mass473.07
IUPAC Name[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol
SMILESCOc1ccccc1-c1nc(-c2c[nH]c3ccc(Br)cc23)[nH]c1-c1ccccc1CO
InChIInChI=1S/C25H20BrN3O2/c1-31-22-9-5-4-8-18(22)24-23(17-7-3-2-6-15(17)14-30)28-25(29-24)20-13-27-21-11-10-16(26)12-19(20)21/h2-13,27,30H,14H2,1H3,(H,28,29)
InChIKeyNWZOGADBELETHM-UHFFFAOYSA-N
XLogP6.16
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 145951275
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CID 16188136
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CID 53362321
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CID 10438518
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CID 155565414
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Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol?
The IUPAC name of [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol (CID 58319601) is [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol is COc1ccccc1-c1nc(-c2c[nH]c3ccc(Br)cc23)[nH]c1-c1ccccc1CO.
What is the InChIKey of [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol?
The InChIKey is NWZOGADBELETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2/c1-31-22-9-5-4-8-18(22)24-23(17-7-3-2-6-15(17)14-30)28-25(29-24)20-13-27-21-11-10-16(26)12-19(20)21/h2-13,27,30H,14H2,1H3,(H,28,29).
What are the key properties of [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol?
[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol has a molecular weight of 474.36 g/mol, XLogP of 6.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 58319601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).