2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole

C19H18N2S — CID 166445776

IUPAC2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole
SMILESCn1ccnc1SCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2S/c1-21-14-13-20-19(21)22-15-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyAWFSUNLJHNTYJB-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.64
Rot. Bonds5

About 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole

2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole (PubChem CID 166445776) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole
PubChem CID166445776
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole
SMILESCn1ccnc1SCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2S/c1-21-14-13-20-19(21)22-15-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyAWFSUNLJHNTYJB-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole?
The IUPAC name of 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole (CID 166445776) is 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole.
What is the SMILES notation for 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole?
The canonical SMILES for 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole is Cn1ccnc1SCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole?
The InChIKey is AWFSUNLJHNTYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c1-21-14-13-20-19(21)22-15-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,15H2,1H3.
What are the key properties of 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole?
2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole has a molecular weight of 306.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylprop-2-enylsulfanyl)-1-methylimidazole is sourced from PubChem (CID 166445776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).