10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline

C35H20FN3OS — CID 156670503

IUPAC10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc(-n2c(-c3cccc4c3oc3nc5cccc(F)c5cc34)nc3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C35H20FN3OS/c1-19-16-17-29(33-31(19)21-8-2-5-15-30(21)41-33)39-28-14-4-3-12-27(28)37-34(39)22-10-6-9-20-23-18-24-25(36)11-7-13-26(24)38-35(23)40-32(20)22/h2-18H,1H3
InChIKeyQHNBDDJLLSNPJE-UHFFFAOYSA-N
MW549.63 g/mol
LogP9.96
Rot. Bonds2

About 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline

10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 156670503) has the molecular formula C35H20FN3OS and a molecular weight of 549.63 g/mol. Its IUPAC name is 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline
PubChem CID156670503
Molecular FormulaC35H20FN3OS
Molecular Weight549.63 g/mol
Exact Mass549.13
IUPAC Name10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc(-n2c(-c3cccc4c3oc3nc5cccc(F)c5cc34)nc3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C35H20FN3OS/c1-19-16-17-29(33-31(19)21-8-2-5-15-30(21)41-33)39-28-14-4-3-12-27(28)37-34(39)22-10-6-9-20-23-18-24-25(36)11-7-13-26(24)38-35(23)40-32(20)22/h2-18H,1H3
InChIKeyQHNBDDJLLSNPJE-UHFFFAOYSA-N
XLogP9.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline 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

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
4-[1-[2,6-Di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-[1]benzofuro[2,3-b]quinoline
CID 156193489
2-Fluoro-4-(28-thia-1,8-diazaoctacyclo[15.13.1.02,7.09,31.010,15.018,30.021,29.022,27]hentriaconta-2,4,6,9(31),10,12,14,16,18(30),19,21(29),22,24,26-tetradecaen-8-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 164033791
4-(2-Fluorophenyl)-8-phenyl-5-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-10-oxa-3,6,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 164049825
1-(1-Benzofuran-2-yl)-2-[3-(1-benzofuran-2-yl)-6-methyl-2-(trifluoromethyl)-1-benzothiophen-5-yl]-3-methylbenzimidazol-3-ium
CID 169300939
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
1-Dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
CID 156657230
3-(8-Fluorodibenzofuran-4-yl)-2-(1-methyldibenzothiophen-4-yl)benzo[f]benzimidazole
CID 156657679
1-Dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzofuran-4-yl)benzimidazole
CID 156657803
1-Dibenzothiophen-2-yl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
CID 156659802
2-[7-(8-Fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
CID 156660111

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline (CID 156670503) is 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline is Cc1ccc(-n2c(-c3cccc4c3oc3nc5cccc(F)c5cc34)nc3ccccc32)c2sc3ccccc3c12.
What is the InChIKey of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is QHNBDDJLLSNPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FN3OS/c1-19-16-17-29(33-31(19)21-8-2-5-15-30(21)41-33)39-28-14-4-3-12-27(28)37-34(39)22-10-6-9-20-23-18-24-25(36)11-7-13-26(24)38-35(23)40-32(20)22/h2-18H,1H3.
What are the key properties of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline?
10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 549.63 g/mol, XLogP of 9.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 156670503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).