8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine

C38H25FN4OS — CID 176643933

IUPAC8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1cc2c(oc3ccccc32)c(C)c1-n1c(-c2ccc(C)c3c2sc2nc(-c4ccc(F)cn4)ccc23)nc2ccccc21
InChIInChI=1S/C38H25FN4OS/c1-20-12-14-26(36-33(20)25-15-17-29(42-38(25)45-36)28-16-13-23(39)19-40-28)37-41-30-9-5-6-10-31(30)43(37)34-21(2)18-27-24-8-4-7-11-32(24)44-35(27)22(34)3/h4-19H,1-3H3
InChIKeyCSDRBPDYXNWOJG-UHFFFAOYSA-N
MW604.71 g/mol
LogP10.48
Rot. Bonds3

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

8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine (PubChem CID 176643933) has the molecular formula C38H25FN4OS and a molecular weight of 604.71 g/mol. Its IUPAC name is 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine
PubChem CID176643933
Molecular FormulaC38H25FN4OS
Molecular Weight604.71 g/mol
Exact Mass604.17
IUPAC Name8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1cc2c(oc3ccccc32)c(C)c1-n1c(-c2ccc(C)c3c2sc2nc(-c4ccc(F)cn4)ccc23)nc2ccccc21
InChIInChI=1S/C38H25FN4OS/c1-20-12-14-26(36-33(20)25-15-17-29(42-38(25)45-36)28-16-13-23(39)19-40-28)37-41-30-9-5-6-10-31(30)43(37)34-21(2)18-27-24-8-4-7-11-32(24)44-35(27)22(34)3/h4-19H,1-3H3
InChIKeyCSDRBPDYXNWOJG-UHFFFAOYSA-N
XLogP10.48
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-[(E)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-1-enyl]-2-(fluoromethyl)-[1]benzothiolo[6,5-b][1]benzofuran-7-yl]carbazole
CID 146664308
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
9-[1-Carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
CID 159483782
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylimidazol-1-ium
CID 164849420
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 167339143
4-Methyl-5-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium-2-yl]-8-phenyl-2-(trifluoromethyl)-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 172136336
8-Methyl-9-[1-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-1-ium-2-yl]-2-(trifluoromethyl)-[1]benzofuro[3,2-g][1,3]benzothiazole
CID 172136353
[18-(8-Fluorodibenzofuran-3-yl)-3-methylidene-11-(2-phenylphenyl)-15-thia-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
CID 174080194
[11-Dibenzothiophen-2-yl-19-(3,5-difluorophenyl)-3-methylidene-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
CID 174080572
3-[3-[3-(4-Tert-butyl-2,6-diphenylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 176642288
8-Methyl-9-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium-2-yl]-2-(trifluoromethyl)-[1]benzofuro[3,2-g]quinazoline
CID 176823185

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine (CID 176643933) is 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine is Cc1cc2c(oc3ccccc32)c(C)c1-n1c(-c2ccc(C)c3c2sc2nc(-c4ccc(F)cn4)ccc23)nc2ccccc21.
What is the InChIKey of 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is CSDRBPDYXNWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4OS/c1-20-12-14-26(36-33(20)25-15-17-29(42-38(25)45-36)28-16-13-23(39)19-40-28)37-41-30-9-5-6-10-31(30)43(37)34-21(2)18-27-24-8-4-7-11-32(24)44-35(27)22(34)3/h4-19H,1-3H3.
What are the key properties of 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine?
8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 604.71 g/mol, XLogP of 10.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,4-dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 176643933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).