2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole

C19H27N3O4S — CID 91911686

IUPAC2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(c3ncc(C)n3C(C)C)C2)c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)22-14(3)11-20-19(22)15-8-9-21(12-15)27(23,24)18-10-16(25-4)6-7-17(18)26-5/h6-7,10-11,13,15H,8-9,12H2,1-5H3
InChIKeyVQRDRFDYHDJKSK-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole

2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole (PubChem CID 91911686) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
PubChem CID91911686
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(c3ncc(C)n3C(C)C)C2)c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)22-14(3)11-20-19(22)15-8-9-21(12-15)27(23,24)18-10-16(25-4)6-7-17(18)26-5/h6-7,10-11,13,15H,8-9,12H2,1-5H3
InChIKeyVQRDRFDYHDJKSK-UHFFFAOYSA-N
XLogP2.97
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911685
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178348
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084274
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
CID 30864220
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494347
1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130631

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole (CID 91911686) is 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole is COc1ccc(OC)c(S(=O)(=O)N2CCC(c3ncc(C)n3C(C)C)C2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
The InChIKey is VQRDRFDYHDJKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)22-14(3)11-20-19(22)15-8-9-21(12-15)27(23,24)18-10-16(25-4)6-7-17(18)26-5/h6-7,10-11,13,15H,8-9,12H2,1-5H3.
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole has a molecular weight of 393.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 91911686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).