3-benzylimidazolidin-4-one

C10H12N2O — CID 14175562

IUPAC3-benzylimidazolidin-4-one
SMILESO=C1CNCN1Cc1ccccc1
InChIInChI=1S/C10H12N2O/c13-10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyMVHBCOMVEOIOSQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.58
Rot. Bonds2

About 3-benzylimidazolidin-4-one

3-benzylimidazolidin-4-one (PubChem CID 14175562) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-benzylimidazolidin-4-one.

Molecular Properties

Compound Name3-benzylimidazolidin-4-one
PubChem CID14175562
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-benzylimidazolidin-4-one
SMILESO=C1CNCN1Cc1ccccc1
InChIInChI=1S/C10H12N2O/c13-10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyMVHBCOMVEOIOSQ-UHFFFAOYSA-N
XLogP0.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzylimidazolidin-4-one?
The IUPAC name of 3-benzylimidazolidin-4-one (CID 14175562) is 3-benzylimidazolidin-4-one.
What is the SMILES notation for 3-benzylimidazolidin-4-one?
The canonical SMILES for 3-benzylimidazolidin-4-one is O=C1CNCN1Cc1ccccc1.
What is the InChIKey of 3-benzylimidazolidin-4-one?
The InChIKey is MVHBCOMVEOIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of 3-benzylimidazolidin-4-one?
3-benzylimidazolidin-4-one has a molecular weight of 176.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimidazolidin-4-one is sourced from PubChem (CID 14175562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).