4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole

C35H27FN2O — CID 167356377

IUPAC4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2cc(F)cc3[nH]c(-c4cccc5c4oc4ccccc45)nc23)c(-c2ccccc2)c1
InChIInChI=1S/C35H27FN2O/c1-35(2,3)22-16-17-24(28(18-22)21-10-5-4-6-11-21)29-19-23(36)20-30-32(29)38-34(37-30)27-14-9-13-26-25-12-7-8-15-31(25)39-33(26)27/h4-20H,1-3H3,(H,37,38)
InChIKeyGXURGZYLFSCICB-UHFFFAOYSA-N
MW510.61 g/mol
LogP9.90
Rot. Bonds3

About 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole

4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole (PubChem CID 167356377) has the molecular formula C35H27FN2O and a molecular weight of 510.61 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole
PubChem CID167356377
Molecular FormulaC35H27FN2O
Molecular Weight510.61 g/mol
Exact Mass510.21
IUPAC Name4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2cc(F)cc3[nH]c(-c4cccc5c4oc4ccccc45)nc23)c(-c2ccccc2)c1
InChIInChI=1S/C35H27FN2O/c1-35(2,3)22-16-17-24(28(18-22)21-10-5-4-6-11-21)29-19-23(36)20-30-32(29)38-34(37-30)27-14-9-13-26-25-12-7-8-15-31(25)39-33(26)27/h4-20H,1-3H3,(H,37,38)
InChIKeyGXURGZYLFSCICB-UHFFFAOYSA-N
XLogP9.90
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 59.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fgi-103
CID 5477931
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enenitrile
CID 5290836
2-Dibenzofuran-2-yl-1H-benzoimidazole-5-carboxylic acid amide
CID 11427396
2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629
2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzofuran-5-yl]-1H-benzimidazole
CID 25139630
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139631
2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
CID 25259503
2-(4-dibenzofuran-4-yl-1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide
CID 44590920
2-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 53325855
6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58073795
6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 88582992
2-[2,3,5,6-tetrafluoro-4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 88582993

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole?
The IUPAC name of 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole (CID 167356377) is 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole?
The canonical SMILES for 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole is CC(C)(C)c1ccc(-c2cc(F)cc3[nH]c(-c4cccc5c4oc4ccccc45)nc23)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole?
The InChIKey is GXURGZYLFSCICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27FN2O/c1-35(2,3)22-16-17-24(28(18-22)21-10-5-4-6-11-21)29-19-23(36)20-30-32(29)38-34(37-30)27-14-9-13-26-25-12-7-8-15-31(25)39-33(26)27/h4-20H,1-3H3,(H,37,38).
What are the key properties of 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole?
4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole has a molecular weight of 510.61 g/mol, XLogP of 9.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-phenylphenyl)-2-dibenzofuran-4-yl-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 167356377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).