[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone

C23H26N4O4S — CID 11487853

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3[nH]c(S(C)=O)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H26N4O4S/c1-30-18-13-17(14-19(15-18)31-2)26-9-11-27(12-10-26)22(28)21-20(16-7-5-4-6-8-16)24-23(25-21)32(3)29/h4-8,13-15H,9-12H2,1-3H3,(H,24,25)
InChIKeyYHNLLCBHNKFMHP-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.79
Rot. Bonds6

About [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone (PubChem CID 11487853) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone
PubChem CID11487853
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3[nH]c(S(C)=O)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H26N4O4S/c1-30-18-13-17(14-19(15-18)31-2)26-9-11-27(12-10-26)22(28)21-20(16-7-5-4-6-8-16)24-23(25-21)32(3)29/h4-8,13-15H,9-12H2,1-3H3,(H,24,25)
InChIKeyYHNLLCBHNKFMHP-UHFFFAOYSA-N
XLogP2.79
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 11383785
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
CID 11604587
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone
CID 142695591
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332367
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649513
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(1-methyl-4-phenyl-1-pyridin-3-ylpyrrol-1-ium-3-yl)methanone
CID 91251440

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone (CID 11487853) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone is COc1cc(OC)cc(N2CCN(C(=O)c3[nH]c(S(C)=O)nc3-c3ccccc3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone?
The InChIKey is YHNLLCBHNKFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-30-18-13-17(14-19(15-18)31-2)26-9-11-27(12-10-26)22(28)21-20(16-7-5-4-6-8-16)24-23(25-21)32(3)29/h4-8,13-15H,9-12H2,1-3H3,(H,24,25).
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone has a molecular weight of 454.55 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 11487853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).