1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

C15H18N4O2 — CID 142790061

IUPAC1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
SMILESCCCOc1ccc(C2CNC(=O)N2c2cnc[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-7-21-12-5-3-11(4-6-12)13-8-17-15(20)19(13)14-9-16-10-18-14/h3-6,9-10,13H,2,7-8H2,1H3,(H,16,18)(H,17,20)
InChIKeyWERQYRJLTWVDJZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.47
Rot. Bonds5

About 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one (PubChem CID 142790061) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
PubChem CID142790061
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
SMILESCCCOc1ccc(C2CNC(=O)N2c2cnc[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-7-21-12-5-3-11(4-6-12)13-8-17-15(20)19(13)14-9-16-10-18-14/h3-6,9-10,13H,2,7-8H2,1H3,(H,16,18)(H,17,20)
InChIKeyWERQYRJLTWVDJZ-UHFFFAOYSA-N
XLogP2.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one (CID 142790061) is 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one is CCCOc1ccc(C2CNC(=O)N2c2cnc[nH]2)cc1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
The InChIKey is WERQYRJLTWVDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-7-21-12-5-3-11(4-6-12)13-8-17-15(20)19(13)14-9-16-10-18-14/h3-6,9-10,13H,2,7-8H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one?
1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one has a molecular weight of 286.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 142790061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).