5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

C25H20BrN3O — CID 143655478

IUPAC5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)ccc1C
InChIInChI=1S/C25H20BrN3O/c1-15-8-9-17(12-22(15)30-2)24-23(16-6-4-3-5-7-16)28-25(29-24)20-14-27-21-11-10-18(26)13-19(20)21/h3-14,27H,1-2H3,(H,28,29)
InChIKeyOIRGXJVKGWNETR-UHFFFAOYSA-N
MW458.36 g/mol
LogP6.97
Rot. Bonds4

About 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 143655478) has the molecular formula C25H20BrN3O and a molecular weight of 458.36 g/mol. Its IUPAC name is 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID143655478
Molecular FormulaC25H20BrN3O
Molecular Weight458.36 g/mol
Exact Mass457.08
IUPAC Name5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)ccc1C
InChIInChI=1S/C25H20BrN3O/c1-15-8-9-17(12-22(15)30-2)24-23(16-6-4-3-5-7-16)28-25(29-24)20-14-27-21-11-10-18(26)13-19(20)21/h3-14,27H,1-2H3,(H,28,29)
InChIKeyOIRGXJVKGWNETR-UHFFFAOYSA-N
XLogP6.97
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
(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
3-(1-Ethyl-1h-imidazol-5-yl)-5-methoxy-1h-indole
CID 138691338
6-Benzyloxy-1,1-dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11049745
4-(4-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
CID 53362320
4-(7-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
CID 53362323
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
N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
CID 122186636
(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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (CID 143655478) is 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is COc1cc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)ccc1C.
What is the InChIKey of 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is OIRGXJVKGWNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O/c1-15-8-9-17(12-22(15)30-2)24-23(16-6-4-3-5-7-16)28-25(29-24)20-14-27-21-11-10-18(26)13-19(20)21/h3-14,27H,1-2H3,(H,28,29).
What are the key properties of 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 458.36 g/mol, XLogP of 6.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 143655478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).