8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine

C39H30FN3OS — CID 156668021

IUPAC8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1cc2c(oc3ccccc32)c(C)c1N1c2cc3ccccc3cc2NC1c1ccc(F)c2c1sc1nc(C(C)C)ccc12
InChIInChI=1S/C39H30FN3OS/c1-20(2)30-16-14-26-34-29(40)15-13-27(37(34)45-39(26)42-30)38-41-31-18-23-9-5-6-10-24(23)19-32(31)43(38)35-21(3)17-28-25-11-7-8-12-33(25)44-36(28)22(35)4/h5-20,38,41H,1-4H3
InChIKeyOWZAACCVCWGHIM-UHFFFAOYSA-N
MW607.75 g/mol
LogP11.64
Rot. Bonds3

About 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine

8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine (PubChem CID 156668021) has the molecular formula C39H30FN3OS and a molecular weight of 607.75 g/mol. Its IUPAC name is 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine
PubChem CID156668021
Molecular FormulaC39H30FN3OS
Molecular Weight607.75 g/mol
Exact Mass607.21
IUPAC Name8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1cc2c(oc3ccccc32)c(C)c1N1c2cc3ccccc3cc2NC1c1ccc(F)c2c1sc1nc(C(C)C)ccc12
InChIInChI=1S/C39H30FN3OS/c1-20(2)30-16-14-26-34-29(40)15-13-27(37(34)45-39(26)42-30)38-41-31-18-23-9-5-6-10-24(23)19-32(31)43(38)35-21(3)17-28-25-11-7-8-12-33(25)44-36(28)22(35)4/h5-20,38,41H,1-4H3
InChIKeyOWZAACCVCWGHIM-UHFFFAOYSA-N
XLogP11.64
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.75
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine (CID 156668021) is 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine is Cc1cc2c(oc3ccccc32)c(C)c1N1c2cc3ccccc3cc2NC1c1ccc(F)c2c1sc1nc(C(C)C)ccc12.
What is the InChIKey of 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is OWZAACCVCWGHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30FN3OS/c1-20(2)30-16-14-26-34-29(40)15-13-27(37(34)45-39(26)42-30)38-41-31-18-23-9-5-6-10-24(23)19-32(31)43(38)35-21(3)17-28-25-11-7-8-12-33(25)44-36(28)22(35)4/h5-20,38,41H,1-4H3.
What are the key properties of 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine?
8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 607.75 g/mol, XLogP of 11.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2,4-dimethyldibenzofuran-3-yl)-1,2-dihydrobenzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 156668021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).