2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol

C35H29N3O2 — CID 140833006

IUPAC2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
SMILESCC(C)Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4C)c3oc4ccccc4c3c2)c1
InChIInChI=1S/C35H29N3O2/c1-21(2)17-22-15-16-36-29(18-22)23-19-27-24-9-5-7-14-32(24)40-34(27)28(20-23)25-11-8-12-30-33(25)37-35(38(30)3)26-10-4-6-13-31(26)39/h4-16,18-21,39H,17H2,1-3H3
InChIKeyYRFNIBMQKCJGKD-UHFFFAOYSA-N
MW523.64 g/mol
LogP8.77
Rot. Bonds5

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

2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol (PubChem CID 140833006) has the molecular formula C35H29N3O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
PubChem CID140833006
Molecular FormulaC35H29N3O2
Molecular Weight523.64 g/mol
Exact Mass523.23
IUPAC Name2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
SMILESCC(C)Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4C)c3oc4ccccc4c3c2)c1
InChIInChI=1S/C35H29N3O2/c1-21(2)17-22-15-16-36-29(18-22)23-19-27-24-9-5-7-14-32(24)40-34(27)28(20-23)25-11-8-12-30-33(25)37-35(38(30)3)26-10-4-6-13-31(26)39/h4-16,18-21,39H,17H2,1-3H3
InChIKeyYRFNIBMQKCJGKD-UHFFFAOYSA-N
XLogP8.77
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-ditert-butyl-6-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832052
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-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469
2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
CID 166057478
5-(2-methylpropyl)-2-[6-(2-methylpropyl)-1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140833103
2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
CID 140906000
2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140832986
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874
4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 164742165
2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 162783143
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol (CID 140833006) is 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol is CC(C)Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4C)c3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
The InChIKey is YRFNIBMQKCJGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3O2/c1-21(2)17-22-15-16-36-29(18-22)23-19-27-24-9-5-7-14-32(24)40-34(27)28(20-23)25-11-8-12-30-33(25)37-35(38(30)3)26-10-4-6-13-31(26)39/h4-16,18-21,39H,17H2,1-3H3.
What are the key properties of 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol?
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol has a molecular weight of 523.64 g/mol, XLogP of 8.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 140833006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).