1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

C12H11FN2OS — CID 43226508

IUPAC1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)c1cccc(F)c1
InChIInChI=1S/C12H11FN2OS/c1-15-6-5-14-12(15)17-8-11(16)9-3-2-4-10(13)7-9/h2-7H,8H2,1H3
InChIKeyDSOAOKYGTBCGHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 43226508) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID43226508
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)c1cccc(F)c1
InChIInChI=1S/C12H11FN2OS/c1-15-6-5-14-12(15)17-8-11(16)9-3-2-4-10(13)7-9/h2-7H,8H2,1H3
InChIKeyDSOAOKYGTBCGHV-UHFFFAOYSA-N
XLogP2.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
1-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8676107
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037
1-(3-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8676190
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 75464250
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
CID 43802153

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 43226508) is 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is Cn1ccnc1SCC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is DSOAOKYGTBCGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-15-6-5-14-12(15)17-8-11(16)9-3-2-4-10(13)7-9/h2-7H,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 250.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 43226508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).