1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole

C20H22N2O2S — CID 167320879

IUPAC1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole
SMILESCOc1ccc(CSc2cnc(C)n2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-21-12-20(25-14-17-6-10-19(24-3)11-7-17)22(15)13-16-4-8-18(23-2)9-5-16/h4-12H,13-14H2,1-3H3
InChIKeyXYXGIPSOHUYKEC-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.55
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole

1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole (PubChem CID 167320879) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole
PubChem CID167320879
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole
SMILESCOc1ccc(CSc2cnc(C)n2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-21-12-20(25-14-17-6-10-19(24-3)11-7-17)22(15)13-16-4-8-18(23-2)9-5-16/h4-12H,13-14H2,1-3H3
InChIKeyXYXGIPSOHUYKEC-UHFFFAOYSA-N
XLogP4.55
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
2-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337196
5-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-one
CID 66310934
2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 164876763
3-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 865214
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 10038347
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
CID 175134378
2-[5-ethyl-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81345577
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
(Z)-2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 168898446

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole (CID 167320879) is 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole is COc1ccc(CSc2cnc(C)n2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole?
The InChIKey is XYXGIPSOHUYKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-21-12-20(25-14-17-6-10-19(24-3)11-7-17)22(15)13-16-4-8-18(23-2)9-5-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole?
1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole has a molecular weight of 354.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole is sourced from PubChem (CID 167320879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).