N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine

C10H10FN3S — CID 68735031

IUPACN-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine
SMILESFCSc1ccccc1Nc1cnc[nH]1
InChIInChI=1S/C10H10FN3S/c11-6-15-9-4-2-1-3-8(9)14-10-5-12-7-13-10/h1-5,7,14H,6H2,(H,12,13)
InChIKeyMMKRAUXMXHXXAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine

N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine (PubChem CID 68735031) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine
PubChem CID68735031
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC NameN-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine
SMILESFCSc1ccccc1Nc1cnc[nH]1
InChIInChI=1S/C10H10FN3S/c11-6-15-9-4-2-1-3-8(9)14-10-5-12-7-13-10/h1-5,7,14H,6H2,(H,12,13)
InChIKeyMMKRAUXMXHXXAC-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine?
The IUPAC name of N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine (CID 68735031) is N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine.
What is the SMILES notation for N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine?
The canonical SMILES for N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine is FCSc1ccccc1Nc1cnc[nH]1.
What is the InChIKey of N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine?
The InChIKey is MMKRAUXMXHXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c11-6-15-9-4-2-1-3-8(9)14-10-5-12-7-13-10/h1-5,7,14H,6H2,(H,12,13).
What are the key properties of N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine?
N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoromethylsulfanyl)phenyl]-1H-imidazol-5-amine is sourced from PubChem (CID 68735031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).