2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine

C15H14FN3S — CID 107524587

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1nc2ccccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C15H14FN3S/c16-11-5-3-4-10(8-11)12(17)9-20-15-18-13-6-1-2-7-14(13)19-15/h1-8,12H,9,17H2,(H,18,19)
InChIKeyDPQPVPZAOITCPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.49
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 107524587) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
PubChem CID107524587
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1nc2ccccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C15H14FN3S/c16-11-5-3-4-10(8-11)12(17)9-20-15-18-13-6-1-2-7-14(13)19-15/h1-8,12H,9,17H2,(H,18,19)
InChIKeyDPQPVPZAOITCPI-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
3-(1H-benzimidazol-2-ylsulfanyl)-2-methylpropanenitrile
CID 43242882
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine (CID 107524587) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine is NC(CSc1nc2ccccc2[nH]1)c1cccc(F)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is DPQPVPZAOITCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-11-5-3-4-10(8-11)12(17)9-20-15-18-13-6-1-2-7-14(13)19-15/h1-8,12H,9,17H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.49, 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-ylsulfanyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107524587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).