2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole

C17H23N3O2S — CID 91911685

IUPAC2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
SMILESCc1cnc(C2CCN(S(=O)(=O)c3ccccc3)C2)n1C(C)C
InChIInChI=1S/C17H23N3O2S/c1-13(2)20-14(3)11-18-17(20)15-9-10-19(12-15)23(21,22)16-7-5-4-6-8-16/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyQLTPGWDZEXETMT-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole (PubChem CID 91911685) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
PubChem CID91911685
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
SMILESCc1cnc(C2CCN(S(=O)(=O)c3ccccc3)C2)n1C(C)C
InChIInChI=1S/C17H23N3O2S/c1-13(2)20-14(3)11-18-17(20)15-9-10-19(12-15)23(21,22)16-7-5-4-6-8-16/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyQLTPGWDZEXETMT-UHFFFAOYSA-N
XLogP2.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911686
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole
CID 75536049
1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
CID 134383141
2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
CID 121117767
1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
CID 91911690
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
CID 164637005
3-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 27518341
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752
(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97199633
N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 91911684

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole (CID 91911685) is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole is Cc1cnc(C2CCN(S(=O)(=O)c3ccccc3)C2)n1C(C)C.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
The InChIKey is QLTPGWDZEXETMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(2)20-14(3)11-18-17(20)15-9-10-19(12-15)23(21,22)16-7-5-4-6-8-16/h4-8,11,13,15H,9-10,12H2,1-3H3.
What are the key properties of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole?
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole has a molecular weight of 333.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 91911685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).