2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol

C43H45N3O2 — CID 140832052

IUPAC2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
SMILESCC(C)Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)c3oc4ccccc4c3c2)c1
InChIInChI=1S/C43H45N3O2/c1-25(2)19-26-17-18-44-35(20-26)27-21-31-29-13-10-11-16-37(29)48-40(31)32(22-27)30-14-12-15-36-38(30)45-41(46(36)9)33-23-28(42(3,4)5)24-34(39(33)47)43(6,7)8/h10-18,20-25,47H,19H2,1-9H3
InChIKeySDDXJDILEGDLCZ-UHFFFAOYSA-N
MW635.85 g/mol
LogP11.37
Rot. Bonds5

About 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol (PubChem CID 140832052) has the molecular formula C43H45N3O2 and a molecular weight of 635.85 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
PubChem CID140832052
Molecular FormulaC43H45N3O2
Molecular Weight635.85 g/mol
Exact Mass635.35
IUPAC Name2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
SMILESCC(C)Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)c3oc4ccccc4c3c2)c1
InChIInChI=1S/C43H45N3O2/c1-25(2)19-26-17-18-44-35(20-26)27-21-31-29-13-10-11-16-37(29)48-40(31)32(22-27)30-14-12-15-36-38(30)45-41(46(36)9)33-23-28(42(3,4)5)24-34(39(33)47)43(6,7)8/h10-18,20-25,47H,19H2,1-9H3
InChIKeySDDXJDILEGDLCZ-UHFFFAOYSA-N
XLogP11.37
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.85
LogP ≤ 511.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol
CID 140931911
2,4-ditert-butyl-6-[1-methyl-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140833031
3-[4-[2-(4-benzyl-2-pyridinyl)dibenzofuran-4-yl]-1-methylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164742926
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 162783141
2,4-ditert-butyl-6-[1-methyl-4-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695
2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864101
2,4-ditert-butyl-6-[1-methyl-4-[3-methyl-5-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931921
2,4-ditert-butyl-6-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol (CID 140832052) is 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol is CC(C)Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)c3oc4ccccc4c3c2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
The InChIKey is SDDXJDILEGDLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N3O2/c1-25(2)19-26-17-18-44-35(20-26)27-21-31-29-13-10-11-16-37(29)48-40(31)32(22-27)30-14-12-15-36-38(30)45-41(46(36)9)33-23-28(42(3,4)5)24-34(39(33)47)43(6,7)8/h10-18,20-25,47H,19H2,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol has a molecular weight of 635.85 g/mol, XLogP of 11.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 140832052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).