3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one

C15H20N2O4 — CID 54315804

IUPAC3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one
SMILESCCCCn1c(O)c(Cc2ccc(OC)c(O)c2)[nH]c1=O
InChIInChI=1S/C15H20N2O4/c1-3-4-7-17-14(19)11(16-15(17)20)8-10-5-6-13(21-2)12(18)9-10/h5-6,9,18-19H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeySOBMZIRXRFJGGG-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.99
Rot. Bonds6

About 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one

3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one (PubChem CID 54315804) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one
PubChem CID54315804
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one
SMILESCCCCn1c(O)c(Cc2ccc(OC)c(O)c2)[nH]c1=O
InChIInChI=1S/C15H20N2O4/c1-3-4-7-17-14(19)11(16-15(17)20)8-10-5-6-13(21-2)12(18)9-10/h5-6,9,18-19H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeySOBMZIRXRFJGGG-UHFFFAOYSA-N
XLogP1.99
TPSA87.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54167729
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
3-butyl-5,6-dimethoxy-1H-quinazoline-2,4-dione
CID 54253740
1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17148094
2-[(3-hydroxy-4-methoxyphenyl)methylamino]hexanoic acid
CID 120510164
1-butyl-6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidenepyrimidin-4-one
CID 136887995
5-(aminomethyl)-2-methoxyphenol
CID 1132998
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 16620491
6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione
CID 101180929
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one (CID 54315804) is 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one is CCCCn1c(O)c(Cc2ccc(OC)c(O)c2)[nH]c1=O.
What is the InChIKey of 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one?
The InChIKey is SOBMZIRXRFJGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-4-7-17-14(19)11(16-15(17)20)8-10-5-6-13(21-2)12(18)9-10/h5-6,9,18-19H,3-4,7-8H2,1-2H3,(H,16,20).
What are the key properties of 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one?
3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one has a molecular weight of 292.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 54315804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).