4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione

C14H11FN2OS — CID 18523973

IUPAC4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione
SMILESFc1ccc(-c2c[nH]c(=S)n2Cc2ccco2)cc1
InChIInChI=1S/C14H11FN2OS/c15-11-5-3-10(4-6-11)13-8-16-14(19)17(13)9-12-2-1-7-18-12/h1-8H,9H2,(H,16,19)
InChIKeyGKNRHSYTWLAYQF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.99
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione

4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione (PubChem CID 18523973) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione
PubChem CID18523973
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione
SMILESFc1ccc(-c2c[nH]c(=S)n2Cc2ccco2)cc1
InChIInChI=1S/C14H11FN2OS/c15-11-5-3-10(4-6-11)13-8-16-14(19)17(13)9-12-2-1-7-18-12/h1-8H,9H2,(H,16,19)
InChIKeyGKNRHSYTWLAYQF-UHFFFAOYSA-N
XLogP3.99
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione
CID 81339214
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 1283764
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3650518
4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552353
6-(4-fluorophenyl)-1-(furan-2-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
CID 16764335
2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 3869225
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
5-chloro-3-(furan-2-ylmethyl)-1H-benzimidazole-2-thione
CID 115469800
2-[[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135450606
6-bromo-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306745

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione (CID 18523973) is 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione is Fc1ccc(-c2c[nH]c(=S)n2Cc2ccco2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione?
The InChIKey is GKNRHSYTWLAYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-5-3-10(4-6-11)13-8-16-14(19)17(13)9-12-2-1-7-18-12/h1-8H,9H2,(H,16,19).
What are the key properties of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione?
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione has a molecular weight of 274.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 18523973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).