[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine

C15H14FN3S — CID 79516723

IUPAC[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1ccc2nc(Sc3cccc(F)c3CN)[nH]c2c1
InChIInChI=1S/C15H14FN3S/c1-9-5-6-12-13(7-9)19-15(18-12)20-14-4-2-3-11(16)10(14)8-17/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyKQRCFNXMHDINKV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.62
Rot. Bonds3

About [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine

[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 79516723) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID79516723
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1ccc2nc(Sc3cccc(F)c3CN)[nH]c2c1
InChIInChI=1S/C15H14FN3S/c1-9-5-6-12-13(7-9)19-15(18-12)20-14-4-2-3-11(16)10(14)8-17/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyKQRCFNXMHDINKV-UHFFFAOYSA-N
XLogP3.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63836193
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
2-[4-bromo-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanamine
CID 63819183
1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
CID 115997228
(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63835956
N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine (CID 79516723) is [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine is Cc1ccc2nc(Sc3cccc(F)c3CN)[nH]c2c1.
What is the InChIKey of [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is KQRCFNXMHDINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-5-6-12-13(7-9)19-15(18-12)20-14-4-2-3-11(16)10(14)8-17/h2-7H,8,17H2,1H3,(H,18,19).
What are the key properties of [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 79516723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).