1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone

C18H15FN2OS — CID 33298554

IUPAC1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1cccc(-n2ccnc2SCC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H15FN2OS/c1-13-5-4-6-14(11-13)21-10-9-20-18(21)23-12-17(22)15-7-2-3-8-16(15)19/h2-11H,12H2,1H3
InChIKeyDQCWAVGDVXKISL-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone

1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 33298554) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID33298554
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1cccc(-n2ccnc2SCC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H15FN2OS/c1-13-5-4-6-14(11-13)21-10-9-20-18(21)23-12-17(22)15-7-2-3-8-16(15)19/h2-11H,12H2,1H3
InChIKeyDQCWAVGDVXKISL-UHFFFAOYSA-N
XLogP4.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40665623
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N,N-bis(2-cyanoethyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 46806811
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
CID 99773691
N'-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2-fluorobenzohydrazide
CID 24577697
1-(2-fluorophenyl)-2-[[4-[(1S,2R)-2-methylcyclohexyl]-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 9465141
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone (CID 33298554) is 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone is Cc1cccc(-n2ccnc2SCC(=O)c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is DQCWAVGDVXKISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-13-5-4-6-14(11-13)21-10-9-20-18(21)23-12-17(22)15-7-2-3-8-16(15)19/h2-11H,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone?
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 326.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 33298554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).