2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine

C15H14FN3S — CID 63818943

IUPAC2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14FN3S/c16-11-5-6-14(10(9-11)7-8-17)20-15-18-12-3-1-2-4-13(12)19-15/h1-6,9H,7-8,17H2,(H,18,19)
InChIKeyBSFMQRKAMHJBDR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine

2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine (PubChem CID 63818943) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
PubChem CID63818943
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14FN3S/c16-11-5-6-14(10(9-11)7-8-17)20-15-18-12-3-1-2-4-13(12)19-15/h1-6,9H,7-8,17H2,(H,18,19)
InChIKeyBSFMQRKAMHJBDR-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657640
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine
CID 102818646
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
CID 107524587
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836009
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine (CID 63818943) is 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine?
The InChIKey is BSFMQRKAMHJBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-11-5-6-14(10(9-11)7-8-17)20-15-18-12-3-1-2-4-13(12)19-15/h1-6,9H,7-8,17H2,(H,18,19).
What are the key properties of 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine?
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63818943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).