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

C24H18BrN3O2 — CID 143655544

IUPAC4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H18BrN3O2/c1-30-18-9-4-15(5-10-18)23-22(14-2-7-17(29)8-3-14)27-24(28-23)20-13-26-21-11-6-16(25)12-19(20)21/h2-13,26,29H,1H3,(H,27,28)
InChIKeyFNQINKZUHTYRBI-UHFFFAOYSA-N
MW460.33 g/mol
LogP6.37
Rot. Bonds4

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

4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol (PubChem CID 143655544) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol
PubChem CID143655544
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H18BrN3O2/c1-30-18-9-4-15(5-10-18)23-22(14-2-7-17(29)8-3-14)27-24(28-23)20-13-26-21-11-6-16(25)12-19(20)21/h2-13,26,29H,1H3,(H,27,28)
InChIKeyFNQINKZUHTYRBI-UHFFFAOYSA-N
XLogP6.37
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 56.37
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

(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-methoxy-benzamidine
CID 10094509
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619907
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-trifluoromethoxy-benzamidine
CID 44385504
6-bromo-N-(3-methoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
CID 76318470
N-(4-bromo-3-methoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
CID 90654489
2-[6-Bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 127029849
4-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]phenol
CID 127030227
(1R,3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127030228
(1R,3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127030229
(1R,3R)-1-(oxan-4-yl)-3-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127030530

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol (CID 143655544) is 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol is COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol?
The InChIKey is FNQINKZUHTYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c1-30-18-9-4-15(5-10-18)23-22(14-2-7-17(29)8-3-14)27-24(28-23)20-13-26-21-11-6-16(25)12-19(20)21/h2-13,26,29H,1H3,(H,27,28).
What are the key properties of 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol?
4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol has a molecular weight of 460.33 g/mol, XLogP of 6.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 143655544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).