2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one

C14H18N2O2 — CID 57031878

IUPAC2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one
SMILESCCCCC1=NCC(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-13-15-9-14(18)16(13)10-11-5-7-12(17)8-6-11/h5-8,17H,2-4,9-10H2,1H3
InChIKeyVBVIPQQULCNCAQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds5

About 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one

2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one (PubChem CID 57031878) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one
PubChem CID57031878
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one
SMILESCCCCC1=NCC(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-13-15-9-14(18)16(13)10-11-5-7-12(17)8-6-11/h5-8,17H,2-4,9-10H2,1H3
InChIKeyVBVIPQQULCNCAQ-UHFFFAOYSA-N
XLogP2.32
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-Dihydro-1H-imidazol-2-yl)phenol
CID 135417369
((z)-4-(2-(Difluoroboryl)-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1h-imidazole-1-yl)butane
CID 129758492
(z)-5-(4-Hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
CID 15309593
4-(4-Hydroxybenzylidene)-1,2-dimethyl-1h-imidazol-5(4h)-one
CID 68784571
1-methyl-2-(4-hydroxyphenyl)-1H-imidazoline
CID 135675019
ethane;N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide;methanol
CID 178148393
(5E)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
CID 46898568
4-Amino-2-(4-hydroxyphenyl)-1,2-dihydroimidazol-5-one
CID 91092935
6-(4-Hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione
CID 91541128
(5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 101461331
(z)-1-Ethyl-4-(4-hydroxybenzylidene)-2-methyl-1h-imidazol-5(4h)-one
CID 129707202
(e)-1-Ethyl-4-(4-hydroxybenzylidene)-2-methyl-1h-imidazol-5(4h)-one
CID 129707349

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one?
The IUPAC name of 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one (CID 57031878) is 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one.
What is the SMILES notation for 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one?
The canonical SMILES for 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one is CCCCC1=NCC(=O)N1Cc1ccc(O)cc1.
What is the InChIKey of 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one?
The InChIKey is VBVIPQQULCNCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-4-13-15-9-14(18)16(13)10-11-5-7-12(17)8-6-11/h5-8,17H,2-4,9-10H2,1H3.
What are the key properties of 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one?
2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one has a molecular weight of 246.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one is sourced from PubChem (CID 57031878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).