2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole

C25H17BrN2 — CID 54434951

IUPAC2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole
SMILESBrc1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H17BrN2/c26-21-16-15-17-9-7-8-14-20(17)22(21)25-27-23(18-10-3-1-4-11-18)24(28-25)19-12-5-2-6-13-19/h1-16H,(H,27,28)
InChIKeyWKBMWWHAYYRCHM-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.33
Rot. Bonds3

About 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole

2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 54434951) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole
PubChem CID54434951
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC Name2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole
SMILESBrc1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H17BrN2/c26-21-16-15-17-9-7-8-14-20(17)22(21)25-27-23(18-10-3-1-4-11-18)24(28-25)19-12-5-2-6-13-19/h1-16H,(H,27,28)
InChIKeyWKBMWWHAYYRCHM-UHFFFAOYSA-N
XLogP7.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
CID 54520537
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
CID 118602056
2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135424424
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
CID 89277665
CID 89277665
2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 3568326
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
diphenyl-[1-(2-phenyl-1H-indol-3-yl)naphthalen-2-yl]phosphane
CID 164683402

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole (CID 54434951) is 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole is Brc1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is WKBMWWHAYYRCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-21-16-15-17-9-7-8-14-20(17)22(21)25-27-23(18-10-3-1-4-11-18)24(28-25)19-12-5-2-6-13-19/h1-16H,(H,27,28).
What are the key properties of 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole?
2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 425.33 g/mol, XLogP of 7.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 54434951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).