1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one

C20H29N3O2 — CID 171988841

IUPAC1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)C2CCN(Cc3ccccc3)C2)C1C(C)(C)C
InChIInChI=1S/C20H29N3O2/c1-20(2,3)19-21(4)17(24)14-23(19)18(25)16-10-11-22(13-16)12-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3
InChIKeyAXAXKTQGMIYLSD-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.18
Rot. Bonds3

About 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one

1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one (PubChem CID 171988841) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one
PubChem CID171988841
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)C2CCN(Cc3ccccc3)C2)C1C(C)(C)C
InChIInChI=1S/C20H29N3O2/c1-20(2,3)19-21(4)17(24)14-23(19)18(25)16-10-11-22(13-16)12-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3
InChIKeyAXAXKTQGMIYLSD-UHFFFAOYSA-N
XLogP2.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
(3aS,7aR)-5-benzyl-1-methyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-2-one
CID 170698594
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
fluoro 1-benzylpyrrolidine-3-carboxylate
CID 143050363
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one?
The IUPAC name of 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one (CID 171988841) is 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one?
The canonical SMILES for 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one is CN1C(=O)CN(C(=O)C2CCN(Cc3ccccc3)C2)C1C(C)(C)C.
What is the InChIKey of 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one?
The InChIKey is AXAXKTQGMIYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(2,3)19-21(4)17(24)14-23(19)18(25)16-10-11-22(13-16)12-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3.
What are the key properties of 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one?
1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one has a molecular weight of 343.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 171988841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).