[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine

C11H12FN3S — CID 66072743

IUPAC[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(CSc2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3S/c12-8-2-1-3-10(4-8)16-7-11-14-6-9(5-13)15-11/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyUWYIQHVNKKGXCN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.30
Rot. Bonds4

About [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine

[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine (PubChem CID 66072743) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine
PubChem CID66072743
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(CSc2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3S/c12-8-2-1-3-10(4-8)16-7-11-14-6-9(5-13)15-11/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyUWYIQHVNKKGXCN-UHFFFAOYSA-N
XLogP2.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine (CID 66072743) is [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine is NCc1cnc(CSc2cccc(F)c2)[nH]1.
What is the InChIKey of [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is UWYIQHVNKKGXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c12-8-2-1-3-10(4-8)16-7-11-14-6-9(5-13)15-11/h1-4,6H,5,7,13H2,(H,14,15).
What are the key properties of [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine?
[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 66072743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).