2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole

C10H9FN2S — CID 175985840

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole
SMILESFc1cccc(CSC2=NCC=N2)c1
InChIInChI=1S/C10H9FN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-4,6H,5,7H2
InChIKeyOOKOAWNIABGZIL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.50
Rot. Bonds2

About 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole

2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole (PubChem CID 175985840) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole
PubChem CID175985840
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole
SMILESFc1cccc(CSC2=NCC=N2)c1
InChIInChI=1S/C10H9FN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-4,6H,5,7H2
InChIKeyOOKOAWNIABGZIL-UHFFFAOYSA-N
XLogP2.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660679
Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
CID 660446
2-allyl-3-[(E)-(4-fluorophenyl)methyleneamino]isothiourea
CID 9604746
2-[2-[(3-Fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 168272797
methyl N-cyano-N'-[2-[(3-fluorophenyl)methylsulfanyl]ethyl]carbamimidothioate
CID 168296022
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
CID 101184938
2-[(3-Fluorophenyl)methylthio]-1,3-thiazoline
CID 19727695
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine
CID 172943376
2-[(3,5-Difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole
CID 54193914
5-(3-Fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
CID 70299629
(4R)-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 70299695

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole (CID 175985840) is 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole is Fc1cccc(CSC2=NCC=N2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole?
The InChIKey is OOKOAWNIABGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-4,6H,5,7H2.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole?
2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole has a molecular weight of 208.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole is sourced from PubChem (CID 175985840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).