2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol

C33H25N3O2 — CID 168843921

IUPAC2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol
SMILESCn1ccnc1-c1cccc(CCc2nc(-c3cccc4c3oc3ccccc34)cc3ccccc23)c1O
InChIInChI=1S/C33H25N3O2/c1-36-19-18-34-33(36)27-14-6-9-21(31(27)37)16-17-28-23-10-3-2-8-22(23)20-29(35-28)26-13-7-12-25-24-11-4-5-15-30(24)38-32(25)26/h2-15,18-20,37H,16-17H2,1H3
InChIKeySPMLRNYOQIXRSN-UHFFFAOYSA-N
MW495.58 g/mol
LogP7.69
Rot. Bonds5

About 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol

2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol (PubChem CID 168843921) has the molecular formula C33H25N3O2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol
PubChem CID168843921
Molecular FormulaC33H25N3O2
Molecular Weight495.58 g/mol
Exact Mass495.19
IUPAC Name2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol
SMILESCn1ccnc1-c1cccc(CCc2nc(-c3cccc4c3oc3ccccc34)cc3ccccc23)c1O
InChIInChI=1S/C33H25N3O2/c1-36-19-18-34-33(36)27-14-6-9-21(31(27)37)16-17-28-23-10-3-2-8-22(23)20-29(35-28)26-13-7-12-25-24-11-4-5-15-30(24)38-32(25)26/h2-15,18-20,37H,16-17H2,1H3
InChIKeySPMLRNYOQIXRSN-UHFFFAOYSA-N
XLogP7.69
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol with MolForge

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Related Compounds

2-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)-1-methylimidazole
CID 176787781
2-[2-[3-(3H-dibenzofuran-3-id-4-yl)isoquinolin-1-yl]ethyl]-6-(3,3-dimethylindol-2-yl)phenol;platinum
CID 168843908
4-[6-(1-methylimidazol-2-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
CID 176787889
1-methyl-2-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)imidazole
CID 176787685
4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole
CID 70786983
2-dibenzofuran-4-ylpyridine
CID 59500175
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
4,6-di(dibenzofuran-4-yl)-2-(2-phenanthren-9-ylnaphthalen-1-yl)pyrimidine
CID 167349581
4-anthracen-9-yldibenzofuran
CID 167187282
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
CID 170111816

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol?
The IUPAC name of 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol (CID 168843921) is 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol.
What is the SMILES notation for 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol?
The canonical SMILES for 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol is Cn1ccnc1-c1cccc(CCc2nc(-c3cccc4c3oc3ccccc34)cc3ccccc23)c1O.
What is the InChIKey of 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol?
The InChIKey is SPMLRNYOQIXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2/c1-36-19-18-34-33(36)27-14-6-9-21(31(27)37)16-17-28-23-10-3-2-8-22(23)20-29(35-28)26-13-7-12-25-24-11-4-5-15-30(24)38-32(25)26/h2-15,18-20,37H,16-17H2,1H3.
What are the key properties of 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol?
2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol has a molecular weight of 495.58 g/mol, XLogP of 7.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol is sourced from PubChem (CID 168843921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).