(2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C11H10ClFN2OS — CID 3236434

IUPAC(2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H10ClFN2OS/c1-17-11-14-5-6-15(11)10(16)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3
InChIKeyMMHBBFMXJCPFCY-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.65
Rot. Bonds1

About (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3236434) has the molecular formula C11H10ClFN2OS and a molecular weight of 272.73 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3236434
Molecular FormulaC11H10ClFN2OS
Molecular Weight272.73 g/mol
Exact Mass272.02
IUPAC Name(2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H10ClFN2OS/c1-17-11-14-5-6-15(11)10(16)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3
InChIKeyMMHBBFMXJCPFCY-UHFFFAOYSA-N
XLogP2.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3236434) is (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is MMHBBFMXJCPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS/c1-17-11-14-5-6-15(11)10(16)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 272.73 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3236434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).