1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one

C13H14N4O — CID 10728865

IUPAC1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
SMILESO=C1N(Cc2cnc[nH]2)CCN1c1ccccc1
InChIInChI=1S/C13H14N4O/c18-13-16(9-11-8-14-10-15-11)6-7-17(13)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,14,15)
InChIKeyUKBSPZQCUVYJRI-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.85
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one

1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one (PubChem CID 10728865) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
PubChem CID10728865
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
SMILESO=C1N(Cc2cnc[nH]2)CCN1c1ccccc1
InChIInChI=1S/C13H14N4O/c18-13-16(9-11-8-14-10-15-11)6-7-17(13)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,14,15)
InChIKeyUKBSPZQCUVYJRI-UHFFFAOYSA-N
XLogP1.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one (CID 10728865) is 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one is O=C1N(Cc2cnc[nH]2)CCN1c1ccccc1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one?
The InChIKey is UKBSPZQCUVYJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13-16(9-11-8-14-10-15-11)6-7-17(13)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one?
1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 10728865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).