2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline

C17H12FN3S — CID 139812499

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
SMILESFc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1
InChIInChI=1S/C17H12FN3S/c18-12-6-8-15-16(9-12)21-17(20-15)22-10-13-7-5-11-3-1-2-4-14(11)19-13/h1-9H,10H2,(H,20,21)
InChIKeyWTDGRHWFOSDHLT-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.54
Rot. Bonds3

About 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline

2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline (PubChem CID 139812499) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
PubChem CID139812499
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
SMILESFc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1
InChIInChI=1S/C17H12FN3S/c18-12-6-8-15-16(9-12)21-17(20-15)22-10-13-7-5-11-3-1-2-4-14(11)19-13/h1-9H,10H2,(H,20,21)
InChIKeyWTDGRHWFOSDHLT-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-2-ylmethylsulfanyl)-3H-benzimidazole-5-carboxylic acid
CID 139812504
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617402
1-[2-[(4-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-yl]-3-naphthalen-2-ylurea
CID 155113935
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine
CID 138474768
2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
3,5-difluoro-4-(quinolin-2-ylmethylsulfanyl)aniline
CID 61359855
4-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]butanenitrile
CID 84616997
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
CID 107524587
2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
CID 135186490

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline (CID 139812499) is 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline is Fc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline?
The InChIKey is WTDGRHWFOSDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c18-12-6-8-15-16(9-12)21-17(20-15)22-10-13-7-5-11-3-1-2-4-14(11)19-13/h1-9H,10H2,(H,20,21).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline?
2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline has a molecular weight of 309.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline is sourced from PubChem (CID 139812499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).