8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine

C30H17N3OS — CID 156667757

IUPAC8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)nc(-c1cccc3c1oc1ncccc13)n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C30H17N3OS/c1-4-16-26-18(8-1)20-10-6-15-25(28(20)35-26)33-24-14-3-2-13-23(24)32-29(33)22-11-5-9-19-21-12-7-17-31-30(21)34-27(19)22/h1-17H
InChIKeyOTDWWOIACFTZCM-UHFFFAOYSA-N
MW467.55 g/mol
LogP8.35
Rot. Bonds2

About 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine

8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667757) has the molecular formula C30H17N3OS and a molecular weight of 467.55 g/mol. Its IUPAC name is 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID156667757
Molecular FormulaC30H17N3OS
Molecular Weight467.55 g/mol
Exact Mass467.11
IUPAC Name8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)nc(-c1cccc3c1oc1ncccc13)n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C30H17N3OS/c1-4-16-26-18(8-1)20-10-6-15-25(28(20)35-26)33-24-14-3-2-13-23(24)32-29(33)22-11-5-9-19-21-12-7-17-31-30(21)34-27(19)22/h1-17H
InChIKeyOTDWWOIACFTZCM-UHFFFAOYSA-N
XLogP8.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156667756
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156669420
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667503
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
CID 156577689
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079

Frequently Asked Questions

What is the IUPAC name of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 156667757) is 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc2c(c1)nc(-c1cccc3c1oc1ncccc13)n2-c1cccc2c1sc1ccccc12.
What is the InChIKey of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OTDWWOIACFTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3OS/c1-4-16-26-18(8-1)20-10-6-15-25(28(20)35-26)33-24-14-3-2-13-23(24)32-29(33)22-11-5-9-19-21-12-7-17-31-30(21)34-27(19)22/h1-17H.
What are the key properties of 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 467.55 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).