1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole

C19H25N3O3S — CID 126806050

IUPAC1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
SMILESCc1nccn1CC1CCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H25N3O3S/c1-14-20-9-11-21(14)13-16-7-5-10-22(16)26(23,24)17-8-4-6-15-12-19(2,3)25-18(15)17/h4,6,8-9,11,16H,5,7,10,12-13H2,1-3H3
InChIKeyUNXTXTUYURZCCG-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.76
Rot. Bonds4

About 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole

1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole (PubChem CID 126806050) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
PubChem CID126806050
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
SMILESCc1nccn1CC1CCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H25N3O3S/c1-14-20-9-11-21(14)13-16-7-5-10-22(16)26(23,24)17-8-4-6-15-12-19(2,3)25-18(15)17/h4,6,8-9,11,16H,5,7,10,12-13H2,1-3H3
InChIKeyUNXTXTUYURZCCG-UHFFFAOYSA-N
XLogP2.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole with MolForge

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Related Compounds

4-[(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 129403692
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-4-(triazol-1-ylmethyl)piperidine
CID 99836947
2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole
CID 95780361
1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole
CID 129425471
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 100691756
(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine
CID 97009276
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-1-methylpiperazin-2-one
CID 99836918
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 154755777
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
3-(2-benzylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
CID 166330625

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole (CID 126806050) is 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole is Cc1nccn1CC1CCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
The InChIKey is UNXTXTUYURZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-20-9-11-21(14)13-16-7-5-10-22(16)26(23,24)17-8-4-6-15-12-19(2,3)25-18(15)17/h4,6,8-9,11,16H,5,7,10,12-13H2,1-3H3.
What are the key properties of 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole has a molecular weight of 375.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole is sourced from PubChem (CID 126806050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).