1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one

C14H19N3O — CID 82384888

IUPAC1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1C1CCNC1
InChIInChI=1S/C14H19N3O/c18-14-16(11-12-4-2-1-3-5-12)8-9-17(14)13-6-7-15-10-13/h1-5,13,15H,6-11H2
InChIKeyUNTIKAQJGRTHJZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.29
Rot. Bonds3

About 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one

1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one (PubChem CID 82384888) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
PubChem CID82384888
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1C1CCNC1
InChIInChI=1S/C14H19N3O/c18-14-16(11-12-4-2-1-3-5-12)8-9-17(14)13-6-7-15-10-13/h1-5,13,15H,6-11H2
InChIKeyUNTIKAQJGRTHJZ-UHFFFAOYSA-N
XLogP1.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84798422
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
1-(furan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
CID 82383025
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
CID 98049755
1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002090
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one?
The IUPAC name of 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one (CID 82384888) is 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one is O=C1N(Cc2ccccc2)CCN1C1CCNC1.
What is the InChIKey of 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one?
The InChIKey is UNTIKAQJGRTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-16(11-12-4-2-1-3-5-12)8-9-17(14)13-6-7-15-10-13/h1-5,13,15H,6-11H2.
What are the key properties of 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one?
1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one is sourced from PubChem (CID 82384888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).