[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine

C14H12FN3S — CID 102818646

IUPAC[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12FN3S/c15-10-5-9(8-16)6-11(7-10)19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2,(H,17,18)
InChIKeyQDZOZUKWEPSQHS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.31
Rot. Bonds3

About [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine

[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine (PubChem CID 102818646) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine
PubChem CID102818646
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12FN3S/c15-10-5-9(8-16)6-11(7-10)19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2,(H,17,18)
InChIKeyQDZOZUKWEPSQHS-UHFFFAOYSA-N
XLogP3.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657640
4-amino-2-[3-(aminomethyl)-5-fluorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 136955856
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
5-(1H-benzimidazol-2-ylsulfanyl)-3-methylbenzene-1,2-diol
CID 139213863
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
CID 107524587
2-amino-4-(1H-benzimidazol-2-ylsulfanyl)benzenesulfonamide
CID 79466724

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine (CID 102818646) is [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine is NCc1cc(F)cc(Sc2nc3ccccc3[nH]2)c1.
What is the InChIKey of [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine?
The InChIKey is QDZOZUKWEPSQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-10-5-9(8-16)6-11(7-10)19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2,(H,17,18).
What are the key properties of [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine?
[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 102818646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).