4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole

C26H26N2 — CID 59910776

IUPAC4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole
SMILESCc1ccc(-c2nc(-c3cccc(C(C)C)c3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N2/c1-17(2)22-6-5-7-23(16-22)26-27-24(20-12-8-18(3)9-13-20)25(28-26)21-14-10-19(4)11-15-21/h5-17H,1-4H3,(H,27,28)
InChIKeySFHRTOZOVKUBJI-UHFFFAOYSA-N
MW366.51 g/mol
LogP7.15
Rot. Bonds4

About 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole

4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole (PubChem CID 59910776) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole
PubChem CID59910776
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole
SMILESCc1ccc(-c2nc(-c3cccc(C(C)C)c3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N2/c1-17(2)22-6-5-7-23(16-22)26-27-24(20-12-8-18(3)9-13-20)25(28-26)21-14-10-19(4)11-15-21/h5-17H,1-4H3,(H,27,28)
InChIKeySFHRTOZOVKUBJI-UHFFFAOYSA-N
XLogP7.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-4-naphthalen-2-yl-5-phenyl-1H-imidazole;hydrochloride
CID 146051305
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
4,5-bis(4-methylphenyl)-2-phenanthren-9-yl-1H-imidazole
CID 71415012
2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole
CID 98376115
2-methoxy-5-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 1326137
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole?
The IUPAC name of 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole (CID 59910776) is 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole is Cc1ccc(-c2nc(-c3cccc(C(C)C)c3)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole?
The InChIKey is SFHRTOZOVKUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c1-17(2)22-6-5-7-23(16-22)26-27-24(20-12-8-18(3)9-13-20)25(28-26)21-14-10-19(4)11-15-21/h5-17H,1-4H3,(H,27,28).
What are the key properties of 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole?
4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole has a molecular weight of 366.51 g/mol, XLogP of 7.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 59910776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).