2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole

C42H41FN2 — CID 69258118

IUPAC2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole
SMILESCC(C)c1ccc(-c2ccc(-n3ccnc3-c3ccc(F)cc3)c(-c3ccc(C(C)C)cc3)c2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C42H41FN2/c1-27(2)30-7-13-33(14-8-30)38-23-24-39(45-26-25-44-42(45)36-19-21-37(43)22-20-36)41(35-17-11-32(12-18-35)29(5)6)40(38)34-15-9-31(10-16-34)28(3)4/h7-29H,1-6H3
InChIKeyOBARZILPCWDBCN-UHFFFAOYSA-N
MW592.80 g/mol
LogP12.05
Rot. Bonds8

About 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole

2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole (PubChem CID 69258118) has the molecular formula C42H41FN2 and a molecular weight of 592.80 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole
PubChem CID69258118
Molecular FormulaC42H41FN2
Molecular Weight592.80 g/mol
Exact Mass592.33
IUPAC Name2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole
SMILESCC(C)c1ccc(-c2ccc(-n3ccnc3-c3ccc(F)cc3)c(-c3ccc(C(C)C)cc3)c2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C42H41FN2/c1-27(2)30-7-13-33(14-8-30)38-23-24-39(45-26-25-44-42(45)36-19-21-37(43)22-20-36)41(35-17-11-32(12-18-35)29(5)6)40(38)34-15-9-31(10-16-34)28(3)4/h7-29H,1-6H3
InChIKeyOBARZILPCWDBCN-UHFFFAOYSA-N
XLogP12.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.80
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole (CID 69258118) is 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole is CC(C)c1ccc(-c2ccc(-n3ccnc3-c3ccc(F)cc3)c(-c3ccc(C(C)C)cc3)c2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole?
The InChIKey is OBARZILPCWDBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41FN2/c1-27(2)30-7-13-33(14-8-30)38-23-24-39(45-26-25-44-42(45)36-19-21-37(43)22-20-36)41(35-17-11-32(12-18-35)29(5)6)40(38)34-15-9-31(10-16-34)28(3)4/h7-29H,1-6H3.
What are the key properties of 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole?
2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole has a molecular weight of 592.80 g/mol, XLogP of 12.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2,3,4-tris(4-propan-2-ylphenyl)phenyl]imidazole is sourced from PubChem (CID 69258118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).