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

C15H12ClFN2O2S — CID 3242469

IUPAC[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFN2O2S/c16-11-3-1-4-12(17)10(11)9-22-15-18-6-7-19(15)14(20)13-5-2-8-21-13/h1-5,8H,6-7,9H2
InChIKeyMZFCXQDDVQVWJX-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.82
Rot. Bonds3

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

[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone (PubChem CID 3242469) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
PubChem CID3242469
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFN2O2S/c16-11-3-1-4-12(17)10(11)9-22-15-18-6-7-19(15)14(20)13-5-2-8-21-13/h1-5,8H,6-7,9H2
InChIKeyMZFCXQDDVQVWJX-UHFFFAOYSA-N
XLogP3.82
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone (CID 3242469) is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN=C1SCc1c(F)cccc1Cl.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is MZFCXQDDVQVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c16-11-3-1-4-12(17)10(11)9-22-15-18-6-7-19(15)14(20)13-5-2-8-21-13/h1-5,8H,6-7,9H2.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 338.79 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3242469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).