1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone

C26H32N4O4S — CID 24579913

IUPAC1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCOc1cccc(-n2ccnc2SCC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)c1
InChIInChI=1S/C26H32N4O4S/c1-19-14-23(33-3)24(34-4)15-20(19)17-28-10-12-29(13-11-28)25(31)18-35-26-27-8-9-30(26)21-6-5-7-22(16-21)32-2/h5-9,14-16H,10-13,17-18H2,1-4H3
InChIKeyQNSOSKNVZMHQPE-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.64
Rot. Bonds9

About 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone

1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 24579913) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID24579913
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCOc1cccc(-n2ccnc2SCC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)c1
InChIInChI=1S/C26H32N4O4S/c1-19-14-23(33-3)24(34-4)15-20(19)17-28-10-12-29(13-11-28)25(31)18-35-26-27-8-9-30(26)21-6-5-7-22(16-21)32-2/h5-9,14-16H,10-13,17-18H2,1-4H3
InChIKeyQNSOSKNVZMHQPE-UHFFFAOYSA-N
XLogP3.64
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 43030406
2-[4-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 78825625
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 55906121
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38014286
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 39761968
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9318967
1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 46677149
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
2-chloro-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 4962199
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone (CID 24579913) is 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone is COc1cccc(-n2ccnc2SCC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)c1.
What is the InChIKey of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is QNSOSKNVZMHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-19-14-23(33-3)24(34-4)15-20(19)17-28-10-12-29(13-11-28)25(31)18-35-26-27-8-9-30(26)21-6-5-7-22(16-21)32-2/h5-9,14-16H,10-13,17-18H2,1-4H3.
What are the key properties of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 496.63 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 24579913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).