2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole

C29H23BrN2 — CID 122207157

IUPAC2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
SMILESCc1ccc(-n2c(-c3ccc(Br)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1C
InChIInChI=1S/C29H23BrN2/c1-20-13-18-26(19-21(20)2)32-28(23-11-7-4-8-12-23)27(22-9-5-3-6-10-22)31-29(32)24-14-16-25(30)17-15-24/h3-19H,1-2H3
InChIKeyDXISKZZNFWRFRC-UHFFFAOYSA-N
MW479.42 g/mol
LogP8.25
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole

2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole (PubChem CID 122207157) has the molecular formula C29H23BrN2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
PubChem CID122207157
Molecular FormulaC29H23BrN2
Molecular Weight479.42 g/mol
Exact Mass478.10
IUPAC Name2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
SMILESCc1ccc(-n2c(-c3ccc(Br)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1C
InChIInChI=1S/C29H23BrN2/c1-20-13-18-26(19-21(20)2)32-28(23-11-7-4-8-12-23)27(22-9-5-3-6-10-22)31-29(32)24-14-16-25(30)17-15-24/h3-19H,1-2H3
InChIKeyDXISKZZNFWRFRC-UHFFFAOYSA-N
XLogP8.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
CID 58827953
2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
CID 89292400
1-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,4,5-triphenylimidazole
CID 151783314
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
CID 102223701
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(1,4,5-triphenylimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole
CID 157404185

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole (CID 122207157) is 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole is Cc1ccc(-n2c(-c3ccc(Br)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole?
The InChIKey is DXISKZZNFWRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23BrN2/c1-20-13-18-26(19-21(20)2)32-28(23-11-7-4-8-12-23)27(22-9-5-3-6-10-22)31-29(32)24-14-16-25(30)17-15-24/h3-19H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole?
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole has a molecular weight of 479.42 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole is sourced from PubChem (CID 122207157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).