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

C33H39FN2 — CID 140726934

IUPAC2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCCCCCCc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3ccc(F)cc3)c(C(C)C)c2)cc1
InChIInChI=1S/C33H39FN2/c1-6-7-8-9-10-25-11-13-26(14-12-25)28-21-30(23(2)3)32(31(22-28)24(4)5)36-20-19-35-33(36)27-15-17-29(34)18-16-27/h11-24H,6-10H2,1-5H3
InChIKeyTYPJENQUUMSBGC-UHFFFAOYSA-N
MW482.69 g/mol
LogP9.72
Rot. Bonds10

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

2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 140726934) has the molecular formula C33H39FN2 and a molecular weight of 482.69 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID140726934
Molecular FormulaC33H39FN2
Molecular Weight482.69 g/mol
Exact Mass482.31
IUPAC Name2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCCCCCCc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3ccc(F)cc3)c(C(C)C)c2)cc1
InChIInChI=1S/C33H39FN2/c1-6-7-8-9-10-25-11-13-26(14-12-25)28-21-30(23(2)3)32(31(22-28)24(4)5)36-20-19-35-33(36)27-15-17-29(34)18-16-27/h11-24H,6-10H2,1-5H3
InChIKeyTYPJENQUUMSBGC-UHFFFAOYSA-N
XLogP9.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[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
1,3-difluoro-5-(4-hexylphenyl)benzene
CID 130468309
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole (CID 140726934) is 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole is CCCCCCc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3ccc(F)cc3)c(C(C)C)c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is TYPJENQUUMSBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN2/c1-6-7-8-9-10-25-11-13-26(14-12-25)28-21-30(23(2)3)32(31(22-28)24(4)5)36-20-19-35-33(36)27-15-17-29(34)18-16-27/h11-24H,6-10H2,1-5H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?
2-(4-fluorophenyl)-1-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 482.69 g/mol, XLogP of 9.72, 10 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-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 140726934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).