3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile

C15H10FN3S — CID 75397691

IUPAC3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(CSc2nc3ccccc3[nH]2)c1F
InChIInChI=1S/C15H10FN3S/c16-14-10(8-17)4-3-5-11(14)9-20-15-18-12-6-1-2-7-13(12)19-15/h1-7H,9H2,(H,18,19)
InChIKeyWGFQDUVSDMSBRR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.87
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile

3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile (PubChem CID 75397691) has the molecular formula C15H10FN3S and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
PubChem CID75397691
Molecular FormulaC15H10FN3S
Molecular Weight283.33 g/mol
Exact Mass283.06
IUPAC Name3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(CSc2nc3ccccc3[nH]2)c1F
InChIInChI=1S/C15H10FN3S/c16-14-10(8-17)4-3-5-11(14)9-20-15-18-12-6-1-2-7-13(12)19-15/h1-7H,9H2,(H,18,19)
InChIKeyWGFQDUVSDMSBRR-UHFFFAOYSA-N
XLogP3.87
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile;hydrobromide
CID 20997813
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 5145216
2-fluoro-3-(quinazolin-4-ylsulfanylmethyl)benzonitrile
CID 103912204
2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 113350332
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-[(2,3-difluorophenyl)methylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 52559013
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile (CID 75397691) is 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile is N#Cc1cccc(CSc2nc3ccccc3[nH]2)c1F.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile?
The InChIKey is WGFQDUVSDMSBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S/c16-14-10(8-17)4-3-5-11(14)9-20-15-18-12-6-1-2-7-13(12)19-15/h1-7H,9H2,(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile?
3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile is sourced from PubChem (CID 75397691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).