5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one

C10H11N3O2 — CID 79961442

IUPAC5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(O)cc1
InChIInChI=1S/C10H11N3O2/c1-13-8(9(11)12-10(13)15)6-2-4-7(14)5-3-6/h2-5,8,14H,1H3,(H2,11,12,15)
InChIKeyJKOQRWNNCNLXKG-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.86
Rot. Bonds1

About 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one

5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79961442) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79961442
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(O)cc1
InChIInChI=1S/C10H11N3O2/c1-13-8(9(11)12-10(13)15)6-2-4-7(14)5-3-6/h2-5,8,14H,1H3,(H2,11,12,15)
InChIKeyJKOQRWNNCNLXKG-UHFFFAOYSA-N
XLogP0.86
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756699
4-(4-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenol
CID 135705205
4-[(4R,5S)-2-ethyl-4-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]phenol
CID 44383434
4-[(4R,5S)-4-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]phenol
CID 44383931
1-[(4-Hydroxyphenyl)methyl]-1-methylurea
CID 61044600
3-[(1S)-1-(4-hydroxyphenyl)ethyl]-1-methyl-1-(2-pyrrolidin-1-ylethyl)urea
CID 125437377
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 70223599
N-cyclopentyl-4-(3-fluoro-4-hydroxyphenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 70223600
(2S)-1-benzyl-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146469719
2-(3,5-Difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
CID 170593007
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one (CID 79961442) is 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1ccc(O)cc1.
What is the InChIKey of 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is JKOQRWNNCNLXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-8(9(11)12-10(13)15)6-2-4-7(14)5-3-6/h2-5,8,14H,1H3,(H2,11,12,15).
What are the key properties of 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79961442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).