5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole

C17H23N3O2S — CID 121499650

IUPAC5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole
SMILESCCc1ncc(S(=O)(=O)N2CC(c3ccccc3)C(C)(C)C2)[nH]1
InChIInChI=1S/C17H23N3O2S/c1-4-15-18-10-16(19-15)23(21,22)20-11-14(17(2,3)12-20)13-8-6-5-7-9-13/h5-10,14H,4,11-12H2,1-3H3,(H,18,19)
InChIKeySNMUOIDFRGCFSX-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.79
Rot. Bonds4

About 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole

5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole (PubChem CID 121499650) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole.

Molecular Properties

Compound Name5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole
PubChem CID121499650
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole
SMILESCCc1ncc(S(=O)(=O)N2CC(c3ccccc3)C(C)(C)C2)[nH]1
InChIInChI=1S/C17H23N3O2S/c1-4-15-18-10-16(19-15)23(21,22)20-11-14(17(2,3)12-20)13-8-6-5-7-9-13/h5-10,14H,4,11-12H2,1-3H3,(H,18,19)
InChIKeySNMUOIDFRGCFSX-UHFFFAOYSA-N
XLogP2.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole?
The IUPAC name of 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole (CID 121499650) is 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole.
What is the SMILES notation for 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole?
The canonical SMILES for 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole is CCc1ncc(S(=O)(=O)N2CC(c3ccccc3)C(C)(C)C2)[nH]1.
What is the InChIKey of 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole?
The InChIKey is SNMUOIDFRGCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-15-18-10-16(19-15)23(21,22)20-11-14(17(2,3)12-20)13-8-6-5-7-9-13/h5-10,14H,4,11-12H2,1-3H3,(H,18,19).
What are the key properties of 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole?
5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole has a molecular weight of 333.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole is sourced from PubChem (CID 121499650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).