2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole

C19H22N2OS — CID 21062900

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(CSC2=NCC(C(C)c3ccccc3)N2)cc1
InChIInChI=1S/C19H22N2OS/c1-14(16-6-4-3-5-7-16)18-12-20-19(21-18)23-13-15-8-10-17(22-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeyGMXMQSHDQSNZRF-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.06
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole

2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 21062900) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole
PubChem CID21062900
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(CSC2=NCC(C(C)c3ccccc3)N2)cc1
InChIInChI=1S/C19H22N2OS/c1-14(16-6-4-3-5-7-16)18-12-20-19(21-18)23-13-15-8-10-17(22-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeyGMXMQSHDQSNZRF-UHFFFAOYSA-N
XLogP4.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole (CID 21062900) is 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole is COc1ccc(CSC2=NCC(C(C)c3ccccc3)N2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is GMXMQSHDQSNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(16-6-4-3-5-7-16)18-12-20-19(21-18)23-13-15-8-10-17(22-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole?
2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 326.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-5-(1-phenylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 21062900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).