[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone

C15H13ClN2O2S — CID 4304292

IUPAC[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN=C1SCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2S/c16-12-4-1-3-11(9-12)10-21-15-17-6-7-18(15)14(19)13-5-2-8-20-13/h1-5,8-9H,6-7,10H2
InChIKeyWAJDAHDPXVCUDY-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.68
Rot. Bonds3

About [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone

[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone (PubChem CID 4304292) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
PubChem CID4304292
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN=C1SCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2S/c16-12-4-1-3-11(9-12)10-21-15-17-6-7-18(15)14(19)13-5-2-8-20-13/h1-5,8-9H,6-7,10H2
InChIKeyWAJDAHDPXVCUDY-UHFFFAOYSA-N
XLogP3.68
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone (CID 4304292) is [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN=C1SCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is WAJDAHDPXVCUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-12-4-1-3-11(9-12)10-21-15-17-6-7-18(15)14(19)13-5-2-8-20-13/h1-5,8-9H,6-7,10H2.
What are the key properties of [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone?
[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 320.80 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4304292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).