cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C15H18N2OS — CID 3238949

IUPACcyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1ccc(CSC2=NCCN2C(=O)C2CC2)cc1
InChIInChI=1S/C15H18N2OS/c1-11-2-4-12(5-3-11)10-19-15-16-8-9-17(15)14(18)13-6-7-13/h2-5,13H,6-10H2,1H3
InChIKeyJTFRBSRLWXPUIL-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.84
Rot. Bonds3

About cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3238949) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3238949
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Namecyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1ccc(CSC2=NCCN2C(=O)C2CC2)cc1
InChIInChI=1S/C15H18N2OS/c1-11-2-4-12(5-3-11)10-19-15-16-8-9-17(15)14(18)13-6-7-13/h2-5,13H,6-10H2,1H3
InChIKeyJTFRBSRLWXPUIL-UHFFFAOYSA-N
XLogP2.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 3238949) is cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is Cc1ccc(CSC2=NCCN2C(=O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is JTFRBSRLWXPUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-2-4-12(5-3-11)10-19-15-16-8-9-17(15)14(18)13-6-7-13/h2-5,13H,6-10H2,1H3.
What are the key properties of cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 274.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3238949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).