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

C35H20FN3S2 — CID 176643950

IUPAC10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
SMILESCc1ccc(-n2c(-c3cccc4c3sc3nc5cccc(F)c5cc34)nc3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C35H20FN3S2/c1-19-16-17-29(33-31(19)21-8-2-5-15-30(21)40-33)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)41-32(20)22/h2-18H,1H3
InChIKeyWHTHGQZJCQXCNW-UHFFFAOYSA-N
MW565.70 g/mol
LogP10.42
Rot. Bonds2

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

10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline (PubChem CID 176643950) has the molecular formula C35H20FN3S2 and a molecular weight of 565.70 g/mol. Its IUPAC name is 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

Compound Name10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
PubChem CID176643950
Molecular FormulaC35H20FN3S2
Molecular Weight565.70 g/mol
Exact Mass565.11
IUPAC Name10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
SMILESCc1ccc(-n2c(-c3cccc4c3sc3nc5cccc(F)c5cc34)nc3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C35H20FN3S2/c1-19-16-17-29(33-31(19)21-8-2-5-15-30(21)40-33)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)41-32(20)22/h2-18H,1H3
InChIKeyWHTHGQZJCQXCNW-UHFFFAOYSA-N
XLogP10.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline?
The IUPAC name of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline (CID 176643950) is 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline.
What is the SMILES notation for 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline?
The canonical SMILES for 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline is Cc1ccc(-n2c(-c3cccc4c3sc3nc5cccc(F)c5cc34)nc3ccccc32)c2sc3ccccc3c12.
What is the InChIKey of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline?
The InChIKey is WHTHGQZJCQXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FN3S2/c1-19-16-17-29(33-31(19)21-8-2-5-15-30(21)40-33)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)41-32(20)22/h2-18H,1H3.
What are the key properties of 10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline?
10-fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline has a molecular weight of 565.70 g/mol, XLogP of 10.42, 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]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 176643950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).