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

C35H22FN3S — CID 156669388

IUPAC8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(F)c4ccccc34)cccc12
InChIInChI=1S/C35H22FN3S/c1-21-18-19-26-25-14-9-15-27(33(25)40-35(26)37-21)34-38-30-16-7-8-17-31(30)39(34)32-24-13-6-5-12-23(24)29(36)20-28(32)22-10-3-2-4-11-22/h2-20H,1H3
InChIKeyWASARXLDQURTTF-UHFFFAOYSA-N
MW535.65 g/mol
LogP9.72
Rot. Bonds3

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

8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine (PubChem CID 156669388) has the molecular formula C35H22FN3S and a molecular weight of 535.65 g/mol. Its IUPAC name is 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine
PubChem CID156669388
Molecular FormulaC35H22FN3S
Molecular Weight535.65 g/mol
Exact Mass535.15
IUPAC Name8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine
SMILESCc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(F)c4ccccc34)cccc12
InChIInChI=1S/C35H22FN3S/c1-21-18-19-26-25-14-9-15-27(33(25)40-35(26)37-21)34-38-30-16-7-8-17-31(30)39(34)32-24-13-6-5-12-23(24)29(36)20-28(32)22-10-3-2-4-11-22/h2-20H,1H3
InChIKeyWASARXLDQURTTF-UHFFFAOYSA-N
XLogP9.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-Fluoro-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(3-phenylphenyl)benzimidazole
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CID 71007486
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9-[4-[6-[4-(7-Fluorodibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
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15-(4-Fluorophenyl)-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 117982608

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine (CID 156669388) is 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine is Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(F)c4ccccc34)cccc12.
What is the InChIKey of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is WASARXLDQURTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3S/c1-21-18-19-26-25-14-9-15-27(33(25)40-35(26)37-21)34-38-30-16-7-8-17-31(30)39(34)32-24-13-6-5-12-23(24)29(36)20-28(32)22-10-3-2-4-11-22/h2-20H,1H3.
What are the key properties of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine?
8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 535.65 g/mol, XLogP of 9.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 156669388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).