1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole

C19H26N2S2 — CID 20518725

IUPAC1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole
SMILESCc1ccc(CC2(CCn3ccnc3)SCC(C)CS2)c(C)c1
InChIInChI=1S/C19H26N2S2/c1-15-4-5-18(17(3)10-15)11-19(22-12-16(2)13-23-19)6-8-21-9-7-20-14-21/h4-5,7,9-10,14,16H,6,8,11-13H2,1-3H3
InChIKeyOFBQESLMQDHKFO-UHFFFAOYSA-N
MW346.57 g/mol
LogP4.95
Rot. Bonds5

About 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole

1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole (PubChem CID 20518725) has the molecular formula C19H26N2S2 and a molecular weight of 346.57 g/mol. Its IUPAC name is 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole
PubChem CID20518725
Molecular FormulaC19H26N2S2
Molecular Weight346.57 g/mol
Exact Mass346.15
IUPAC Name1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole
SMILESCc1ccc(CC2(CCn3ccnc3)SCC(C)CS2)c(C)c1
InChIInChI=1S/C19H26N2S2/c1-15-4-5-18(17(3)10-15)11-19(22-12-16(2)13-23-19)6-8-21-9-7-20-14-21/h4-5,7,9-10,14,16H,6,8,11-13H2,1-3H3
InChIKeyOFBQESLMQDHKFO-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[2-(3,5-dimethylphenyl)ethyl]-4-methyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518529
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547732
1-[2-[2-[(4-bromophenyl)methyl]-4-methyl-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518486
1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518671
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547780
1-[[5-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518796
1-[[4-ethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518507
1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518875
1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole
CID 13365927
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
1-[2-[4-methyl-2-(2,4,6-trichlorophenyl)-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518732
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole (CID 20518725) is 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole is Cc1ccc(CC2(CCn3ccnc3)SCC(C)CS2)c(C)c1.
What is the InChIKey of 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole?
The InChIKey is OFBQESLMQDHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S2/c1-15-4-5-18(17(3)10-15)11-19(22-12-16(2)13-23-19)6-8-21-9-7-20-14-21/h4-5,7,9-10,14,16H,6,8,11-13H2,1-3H3.
What are the key properties of 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole?
1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole has a molecular weight of 346.57 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole is sourced from PubChem (CID 20518725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).