5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole

C24H17BrClN3 — CID 143047805

IUPAC5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole
SMILESCn1cc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c2cc(Br)ccc21
InChIInChI=1S/C24H17BrClN3/c1-29-14-20(19-13-17(25)9-12-21(19)29)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-10-18(26)11-8-16/h2-14H,1H3,(H,27,28)
InChIKeyMZTBSDGMAVPMLM-UHFFFAOYSA-N
MW462.78 g/mol
LogP7.32
Rot. Bonds3

About 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole

5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole (PubChem CID 143047805) has the molecular formula C24H17BrClN3 and a molecular weight of 462.78 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole.

Molecular Properties

Compound Name5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole
PubChem CID143047805
Molecular FormulaC24H17BrClN3
Molecular Weight462.78 g/mol
Exact Mass461.03
IUPAC Name5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole
SMILESCn1cc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c2cc(Br)ccc21
InChIInChI=1S/C24H17BrClN3/c1-29-14-20(19-13-17(25)9-12-21(19)29)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-10-18(26)11-8-16/h2-14H,1H3,(H,27,28)
InChIKeyMZTBSDGMAVPMLM-UHFFFAOYSA-N
XLogP7.32
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine
CID 4573919
5-Bromo-1-ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1H-indole
CID 10046399
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11385393
6-Chloro-3-[3-(4-chloro-benzyl)-5-phenyl-3h-imidazol-4-yl]-1h-indole
CID 25105771
5-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
CID 138691316
5-bromo-3-(3-ethylimidazol-4-yl)-4-fluoro-1H-indole
CID 139488539
2-(1H-benzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 2849770
(E)-2-(1H-benzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 5334245
5-Bromo-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1-methyl-1H-indole
CID 10000064
7-[(4-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl-1H-indole
CID 10042609
3-((1H-imidazol-2-yl)(phenyl)methyl)-5-bromo-1-ethyl-1H-indole
CID 10091150
4-Chloro-N-[(R)-2-(1H-indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-benzamidine
CID 10166743

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole?
The IUPAC name of 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole (CID 143047805) is 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole.
What is the SMILES notation for 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole?
The canonical SMILES for 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole is Cn1cc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole?
The InChIKey is MZTBSDGMAVPMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClN3/c1-29-14-20(19-13-17(25)9-12-21(19)29)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-10-18(26)11-8-16/h2-14H,1H3,(H,27,28).
What are the key properties of 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole?
5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole has a molecular weight of 462.78 g/mol, XLogP of 7.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1-methylindole is sourced from PubChem (CID 143047805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).