1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole

C15H21N3O2S — CID 53071989

IUPAC1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole
SMILESCCc1ccc(S(=O)(=O)N2CCN=C2N2CCCC2)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-13-5-7-14(8-6-13)21(19,20)18-12-9-16-15(18)17-10-3-4-11-17/h5-8H,2-4,9-12H2,1H3
InChIKeyBZBFCUNUKAWFCY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole

1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole (PubChem CID 53071989) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole
PubChem CID53071989
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole
SMILESCCc1ccc(S(=O)(=O)N2CCN=C2N2CCCC2)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-13-5-7-14(8-6-13)21(19,20)18-12-9-16-15(18)17-10-3-4-11-17/h5-8H,2-4,9-12H2,1H3
InChIKeyBZBFCUNUKAWFCY-UHFFFAOYSA-N
XLogP1.71
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-ethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]morpholine
CID 53072028
1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 22335023
ethyl 3-methyl-5-[(2-piperidin-1-yl-4,5-dihydroimidazol-1-yl)sulfonyl]-1-benzofuran-2-carboxylate
CID 53072014
1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine
CID 53072000
1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477841
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
CID 2148553
CID 163476741
CID 163476741
4-(4-ethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639223
5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole
CID 121477871
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
4-(4-ethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 155944113

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole (CID 53071989) is 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole is CCc1ccc(S(=O)(=O)N2CCN=C2N2CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole?
The InChIKey is BZBFCUNUKAWFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-13-5-7-14(8-6-13)21(19,20)18-12-9-16-15(18)17-10-3-4-11-17/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole?
1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole has a molecular weight of 307.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole is sourced from PubChem (CID 53071989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).