1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone

C22H25N3O3S — CID 72725172

IUPAC1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H25N3O3S/c1-14-6-9-18(10-7-14)24-25-16(3)15(2)23-22(25)29-13-19(26)17-8-11-20(27-4)21(12-17)28-5/h6-12,24H,13H2,1-5H3
InChIKeyRMZXKWVYBZIMBA-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.68
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone

1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone (PubChem CID 72725172) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
PubChem CID72725172
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H25N3O3S/c1-14-6-9-18(10-7-14)24-25-16(3)15(2)23-22(25)29-13-19(26)17-8-11-20(27-4)21(12-17)28-5/h6-12,24H,13H2,1-5H3
InChIKeyRMZXKWVYBZIMBA-UHFFFAOYSA-N
XLogP4.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-1-(4-chlorophenyl)ethanone
CID 72725167
1-(3,4-dimethoxyphenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 6498166
1-(3,4-dimethoxyphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2485459
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17467065
1-(3,4-dimethoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2623192
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 18098942
1-(3,4-dimethoxyphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2519663
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
CID 18575195
1-(3,4-dimethoxyphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16582127
1-(3,4-dimethoxyphenyl)-2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]ethanone
CID 1249291
3-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide
CID 3919948

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone (CID 72725172) is 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone is COc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The InChIKey is RMZXKWVYBZIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-14-6-9-18(10-7-14)24-25-16(3)15(2)23-22(25)29-13-19(26)17-8-11-20(27-4)21(12-17)28-5/h6-12,24H,13H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone has a molecular weight of 411.53 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 72725172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).