[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine

C14H12FN3S — CID 43657640

IUPAC[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C14H12FN3S/c15-10-7-9(8-16)5-6-13(10)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8,16H2,(H,17,18)
InChIKeyFIITYQFYHSDHPC-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.31
Rot. Bonds3

About [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine

[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine (PubChem CID 43657640) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
PubChem CID43657640
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C14H12FN3S/c15-10-7-9(8-16)5-6-13(10)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8,16H2,(H,17,18)
InChIKeyFIITYQFYHSDHPC-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-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
[3-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]methanamine
CID 102818646
[4-(1,3-benzoxazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657650
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
CID 114991117
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
(1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-bromophenyl]ethanamine
CID 63370348
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine (CID 43657640) is [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine is NCc1ccc(Sc2nc3ccccc3[nH]2)c(F)c1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine?
The InChIKey is FIITYQFYHSDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-10-7-9(8-16)5-6-13(10)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8,16H2,(H,17,18).
What are the key properties of [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine?
[4-(1H-benzimidazol-2-ylsulfanyl)-3-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 [4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 43657640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).