1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one

C13H18N2O3 — CID 141306848

IUPAC1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one
SMILESCOc1ccc(CC(CO)N2CCNC2=O)cc1
InChIInChI=1S/C13H18N2O3/c1-18-12-4-2-10(3-5-12)8-11(9-16)15-7-6-14-13(15)17/h2-5,11,16H,6-9H2,1H3,(H,14,17)
InChIKeyVCVCJFHDAPREBZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds5

About 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one

1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one (PubChem CID 141306848) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one
PubChem CID141306848
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one
SMILESCOc1ccc(CC(CO)N2CCNC2=O)cc1
InChIInChI=1S/C13H18N2O3/c1-18-12-4-2-10(3-5-12)8-11(9-16)15-7-6-14-13(15)17/h2-5,11,16H,6-9H2,1H3,(H,14,17)
InChIKeyVCVCJFHDAPREBZ-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4-methylpentan-2-yl)imidazolidin-2-one
CID 104549237
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
CID 111497039
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
(4-methoxyphenyl)methanol
CID 7738

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one (CID 141306848) is 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one is COc1ccc(CC(CO)N2CCNC2=O)cc1.
What is the InChIKey of 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one?
The InChIKey is VCVCJFHDAPREBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-4-2-10(3-5-12)8-11(9-16)15-7-6-14-13(15)17/h2-5,11,16H,6-9H2,1H3,(H,14,17).
What are the key properties of 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one?
1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]imidazolidin-2-one is sourced from PubChem (CID 141306848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).