4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one

C12H23N3O — CID 116979067

IUPAC4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)(C)C1CN(CC2CCCN2)C(=O)N1
InChIInChI=1S/C12H23N3O/c1-12(2,3)10-8-15(11(16)14-10)7-9-5-4-6-13-9/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeySXXKUJXCSXOWHM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.18
Rot. Bonds2

About 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one

4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one (PubChem CID 116979067) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
PubChem CID116979067
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)(C)C1CN(CC2CCCN2)C(=O)N1
InChIInChI=1S/C12H23N3O/c1-12(2,3)10-8-15(11(16)14-10)7-9-5-4-6-13-9/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeySXXKUJXCSXOWHM-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979101
4-(1-methylpiperidin-4-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979093
1-(piperidin-2-ylmethyl)-4-propylimidazolidin-2-one
CID 116979133
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
4-(1-methylpyrrolidin-3-yl)-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116979152
4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980688
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
CID 102819920
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979075
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
1-(piperidin-2-ylmethyl)-4-pyridin-4-ylimidazolidin-2-one
CID 116979146

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one (CID 116979067) is 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one is CC(C)(C)C1CN(CC2CCCN2)C(=O)N1.
What is the InChIKey of 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is SXXKUJXCSXOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)10-8-15(11(16)14-10)7-9-5-4-6-13-9/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 116979067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).