1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole

C20H21N3O3S — CID 125481047

IUPAC1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole
SMILESCn1cnc(S(=O)(=O)N2C[C@H](Oc3ccccc3)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O3S/c1-22-14-20(21-15-22)27(24,25)23-12-18(16-8-4-2-5-9-16)19(13-23)26-17-10-6-3-7-11-17/h2-11,14-15,18-19H,12-13H2,1H3/t18-,19-/m0/s1
InChIKeyLUFJIIKQYHTRSE-OALUTQOASA-N
MW383.47 g/mol
LogP2.66
Rot. Bonds5

About 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole

1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole (PubChem CID 125481047) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole.

Molecular Properties

Compound Name1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole
PubChem CID125481047
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole
SMILESCn1cnc(S(=O)(=O)N2C[C@H](Oc3ccccc3)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O3S/c1-22-14-20(21-15-22)27(24,25)23-12-18(16-8-4-2-5-9-16)19(13-23)26-17-10-6-3-7-11-17/h2-11,14-15,18-19H,12-13H2,1H3/t18-,19-/m0/s1
InChIKeyLUFJIIKQYHTRSE-OALUTQOASA-N
XLogP2.66
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]carbamic acid
CID 138541430
N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90406554
N-(2,3-dimethylpentyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 140653730
(3R,4S)-N-hexyl-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90407080
(3S,4R)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 90405464
(3S,4R)-N-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90404978
methyl 2-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxyacetate
CID 90405783
methyl 2-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxyacetate
CID 90405786
N-(2,3-difluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406946
4-cyano-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90404515
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 90405784
4-chloro-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90406260

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole?
The IUPAC name of 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole (CID 125481047) is 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole.
What is the SMILES notation for 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole?
The canonical SMILES for 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole is Cn1cnc(S(=O)(=O)N2C[C@H](Oc3ccccc3)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole?
The InChIKey is LUFJIIKQYHTRSE-OALUTQOASA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22-14-20(21-15-22)27(24,25)23-12-18(16-8-4-2-5-9-16)19(13-23)26-17-10-6-3-7-11-17/h2-11,14-15,18-19H,12-13H2,1H3/t18-,19-/m0/s1.
What are the key properties of 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole?
1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole has a molecular weight of 383.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole is sourced from PubChem (CID 125481047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).