2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol

C35H23N3O2 — CID 171420101

IUPAC2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cc(-c4cc5ccccc5cn4)c4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C35H23N3O2/c1-38-30-14-8-13-24(33(30)37-35(38)26-12-4-6-15-31(26)39)23-17-27-25-11-5-7-16-32(25)40-34(27)28(18-23)29-19-21-9-2-3-10-22(21)20-36-29/h2-20,39H,1H3
InChIKeyZQYYOESZXVCRCX-UHFFFAOYSA-N
MW517.59 g/mol
LogP8.73
Rot. Bonds3

About 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol

2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol (PubChem CID 171420101) has the molecular formula C35H23N3O2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
PubChem CID171420101
Molecular FormulaC35H23N3O2
Molecular Weight517.59 g/mol
Exact Mass517.18
IUPAC Name2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cc(-c4cc5ccccc5cn4)c4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C35H23N3O2/c1-38-30-14-8-13-24(33(30)37-35(38)26-12-4-6-15-31(26)39)23-17-27-25-11-5-7-16-32(25)40-34(27)28(18-23)29-19-21-9-2-3-10-22(21)20-36-29/h2-20,39H,1H3
InChIKeyZQYYOESZXVCRCX-UHFFFAOYSA-N
XLogP8.73
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164
2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140832986
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol
CID 160945722
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-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-[1-methyl-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140833031
11-[4-(5-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]-5,5,6,6-tetramethylbenzimidazolo[2,1-a]isoquinolin-1-ol
CID 162493985
2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
CID 140906000
3-[4-[2-(4-benzyl-2-pyridinyl)dibenzofuran-4-yl]-1-methylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164742926
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-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 171732550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol (CID 171420101) is 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol is Cn1c(-c2ccccc2O)nc2c(-c3cc(-c4cc5ccccc5cn4)c4oc5ccccc5c4c3)cccc21.
What is the InChIKey of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol?
The InChIKey is ZQYYOESZXVCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O2/c1-38-30-14-8-13-24(33(30)37-35(38)26-12-4-6-15-31(26)39)23-17-27-25-11-5-7-16-32(25)40-34(27)28(18-23)29-19-21-9-2-3-10-22(21)20-36-29/h2-20,39H,1H3.
What are the key properties of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol?
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol has a molecular weight of 517.59 g/mol, XLogP of 8.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 171420101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).