[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine

C15H14FN3S — CID 64765032

IUPAC[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14FN3S/c16-12-6-5-10(8-17)11(7-12)9-20-15-18-13-3-1-2-4-14(13)19-15/h1-7H,8-9,17H2,(H,18,19)
InChIKeyIYJWCGFNEVVNEP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.45
Rot. Bonds4

About [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine

[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine (PubChem CID 64765032) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
PubChem CID64765032
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14FN3S/c16-12-6-5-10(8-17)11(7-12)9-20-15-18-13-3-1-2-4-14(13)19-15/h1-7H,8-9,17H2,(H,18,19)
InChIKeyIYJWCGFNEVVNEP-UHFFFAOYSA-N
XLogP3.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
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2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
CID 139812499
2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide
CID 45135788
2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroaniline
CID 14064658
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
CID 107524587
3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
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Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine (CID 64765032) is [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is IYJWCGFNEVVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-12-6-5-10(8-17)11(7-12)9-20-15-18-13-3-1-2-4-14(13)19-15/h1-7H,8-9,17H2,(H,18,19).
What are the key properties of [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 64765032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).