2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane

C30H35FN2 — CID 144541473

IUPAC2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1ccc(F)cc1.CCC
InChIInChI=1S/C27H27FN2.C3H8/c1-18(2)24-16-22(20-8-6-5-7-9-20)17-25(19(3)4)26(24)30-15-14-29-27(30)21-10-12-23(28)13-11-21;1-3-2/h5-19H,1-4H3;3H2,1-2H3
InChIKeyIWHBTUUBASDDDL-UHFFFAOYSA-N
MW442.62 g/mol
LogP9.01
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane

2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane (PubChem CID 144541473) has the molecular formula C30H35FN2 and a molecular weight of 442.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
PubChem CID144541473
Molecular FormulaC30H35FN2
Molecular Weight442.62 g/mol
Exact Mass442.28
IUPAC Name2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1ccc(F)cc1.CCC
InChIInChI=1S/C27H27FN2.C3H8/c1-18(2)24-16-22(20-8-6-5-7-9-20)17-25(19(3)4)26(24)30-15-14-29-27(30)21-10-12-23(28)13-11-21;1-3-2/h5-19H,1-4H3;3H2,1-2H3
InChIKeyIWHBTUUBASDDDL-UHFFFAOYSA-N
XLogP9.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.62
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 140726934
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 159030794
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
CID 140866296
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole
CID 140791225
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
CID 58175669
2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 144542422
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
CID 140723590
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane (CID 144541473) is 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1ccc(F)cc1.CCC.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane?
The InChIKey is IWHBTUUBASDDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2.C3H8/c1-18(2)24-16-22(20-8-6-5-7-9-20)17-25(19(3)4)26(24)30-15-14-29-27(30)21-10-12-23(28)13-11-21;1-3-2/h5-19H,1-4H3;3H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane?
2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane has a molecular weight of 442.62 g/mol, XLogP of 9.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane is sourced from PubChem (CID 144541473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).