(2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C19H19FN2O3S — CID 3447139

IUPAC(2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1OC
InChIInChI=1S/C19H19FN2O3S/c1-24-16-8-4-7-15(17(16)25-2)18(23)22-10-9-21-19(22)26-12-13-5-3-6-14(20)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyKQXKIZPNSRFKMO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.59
Rot. Bonds5

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

(2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3447139) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3447139
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name(2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1OC
InChIInChI=1S/C19H19FN2O3S/c1-24-16-8-4-7-15(17(16)25-2)18(23)22-10-9-21-19(22)26-12-13-5-3-6-14(20)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyKQXKIZPNSRFKMO-UHFFFAOYSA-N
XLogP3.59
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 3447139) is (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is COc1cccc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is KQXKIZPNSRFKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-24-16-8-4-7-15(17(16)25-2)18(23)22-10-9-21-19(22)26-12-13-5-3-6-14(20)11-13/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3447139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).