1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine

C20H22N4O2S — CID 90404972

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3ccccc3)C(c3ccccc3)C2)c1
InChIInChI=1S/C20H22N4O2S/c1-23-14-20(21-15-23)27(25,26)24-12-18(16-8-4-2-5-9-16)19(13-24)22-17-10-6-3-7-11-17/h2-11,14-15,18-19,22H,12-13H2,1H3
InChIKeyFRPYSHYFXSVLBY-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.69
Rot. Bonds5

About 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine

1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine (PubChem CID 90404972) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine
PubChem CID90404972
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3ccccc3)C(c3ccccc3)C2)c1
InChIInChI=1S/C20H22N4O2S/c1-23-14-20(21-15-23)27(25,26)24-12-18(16-8-4-2-5-9-16)19(13-24)22-17-10-6-3-7-11-17/h2-11,14-15,18-19,22H,12-13H2,1H3
InChIKeyFRPYSHYFXSVLBY-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-1-methyl-N-[(2-methylphenyl)methyl]-1H-imidazole-4-sulfonamide
CID 11191318
N-Benzyl-N-(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)-1-Methyl-1h-Imidazole-4-Sulfonamide
CID 11294760
N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-N-(cyclohexylmethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 11248965
N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-1-methyl-N-[(4-phenylphenyl)methyl]-1H-imidazole-4-sulfonamide
CID 11330505
N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 11364751
N-(4-cyanobenzyl)-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 16086182
1-methyl-N-(2-{[(1-methyl-1H-imidazol-5-yl)methyl](4-phenylphenyl)amino}ethyl)-N-[(2-methylphenyl)methyl]-1H-imidazole-4-sulfonamide
CID 23646363
tert-Butylphenyl imidazolylphenyl sulfonamide
CID 3792751
US9656955, Example 652
CID 86295441
US9656955, Example 540
CID 86295651
US9656955, Example 351
CID 86295652
(3R,4S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 145953294

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine (CID 90404972) is 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine is Cn1cnc(S(=O)(=O)N2CC(Nc3ccccc3)C(c3ccccc3)C2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine?
The InChIKey is FRPYSHYFXSVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-23-14-20(21-15-23)27(25,26)24-12-18(16-8-4-2-5-9-16)19(13-24)22-17-10-6-3-7-11-17/h2-11,14-15,18-19,22H,12-13H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine?
1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine has a molecular weight of 382.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine is sourced from PubChem (CID 90404972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).