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

C31H21N3O2 — CID 171420164

IUPAC2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
SMILESCn1cc(-c2cc(-c3cc4ccccc4cn3)c3oc4ccccc4c3c2)nc1-c1ccccc1O
InChIInChI=1S/C31H21N3O2/c1-34-18-27(33-31(34)23-11-4-6-12-28(23)35)21-14-24-22-10-5-7-13-29(22)36-30(24)25(15-21)26-16-19-8-2-3-9-20(19)17-32-26/h2-18,35H,1H3
InChIKeyQHYVBHGXNQYRKZ-UHFFFAOYSA-N
MW467.53 g/mol
LogP7.57
Rot. Bonds3

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

2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol (PubChem CID 171420164) has the molecular formula C31H21N3O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
PubChem CID171420164
Molecular FormulaC31H21N3O2
Molecular Weight467.53 g/mol
Exact Mass467.16
IUPAC Name2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
SMILESCn1cc(-c2cc(-c3cc4ccccc4cn3)c3oc4ccccc4c3c2)nc1-c1ccccc1O
InChIInChI=1S/C31H21N3O2/c1-34-18-27(33-31(34)23-11-4-6-12-28(23)35)21-14-24-22-10-5-7-13-29(22)36-30(24)25(15-21)26-16-19-8-2-3-9-20(19)17-32-26/h2-18,35H,1H3
InChIKeyQHYVBHGXNQYRKZ-UHFFFAOYSA-N
XLogP7.57
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140832986
1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
CID 171420134
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
CID 171420085
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2-[4-phenyl-6-[2-(3-phenylimidazo[2,1-a]isoquinolin-2-yl)dibenzofuran-4-yl]-2-pyridinyl]phenol
CID 169318154
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
2-[1-phenyl-4-[4-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 162783143
2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol
CID 160945722
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
CID 168815665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol?
The IUPAC name of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol (CID 171420164) is 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol is Cn1cc(-c2cc(-c3cc4ccccc4cn3)c3oc4ccccc4c3c2)nc1-c1ccccc1O.
What is the InChIKey of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol?
The InChIKey is QHYVBHGXNQYRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O2/c1-34-18-27(33-31(34)23-11-4-6-12-28(23)35)21-14-24-22-10-5-7-13-29(22)36-30(24)25(15-21)26-16-19-8-2-3-9-20(19)17-32-26/h2-18,35H,1H3.
What are the key properties of 2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol?
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol has a molecular weight of 467.53 g/mol, XLogP of 7.57, 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-methylimidazol-2-yl]phenol is sourced from PubChem (CID 171420164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).