(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone

C14H16N2OS — CID 79206741

IUPAC(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1ccc(SC)cc1
InChIInChI=1S/C14H16N2OS/c1-3-9-16-10-8-15-14(16)13(17)11-4-6-12(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3
InChIKeyFZSVFSFDWWUICH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.25
Rot. Bonds5

About (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone

(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 79206741) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
PubChem CID79206741
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1ccc(SC)cc1
InChIInChI=1S/C14H16N2OS/c1-3-9-16-10-8-15-14(16)13(17)11-4-6-12(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3
InChIKeyFZSVFSFDWWUICH-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone (CID 79206741) is (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1ccc(SC)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is FZSVFSFDWWUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-9-16-10-8-15-14(16)13(17)11-4-6-12(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone?
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 79206741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).