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

C12H15N3O2 — CID 79960072

IUPAC5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(O)cc1
InChIInChI=1S/C12H15N3O2/c1-2-7-15-10(11(13)14-12(15)17)8-3-5-9(16)6-4-8/h3-6,10,16H,2,7H2,1H3,(H2,13,14,17)
InChIKeyIKQUJWBWYPHWBP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.64
Rot. Bonds3

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

5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960072) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79960072
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(O)cc1
InChIInChI=1S/C12H15N3O2/c1-2-7-15-10(11(13)14-12(15)17)8-3-5-9(16)6-4-8/h3-6,10,16H,2,7H2,1H3,(H2,13,14,17)
InChIKeyIKQUJWBWYPHWBP-UHFFFAOYSA-N
XLogP1.64
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2S)-1-benzyl-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155523327
1-[(4-Hydroxyphenyl)methyl]-1-methylurea
CID 61044600
1-methyl-2-(4-hydroxyphenyl)-1H-imidazoline
CID 135675019
3-[(1S)-1-(4-hydroxyphenyl)ethyl]-1-methyl-1-(2-pyrrolidin-1-ylethyl)urea
CID 125437377
(2S)-1-benzyl-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146469719
(2S)-N'-[(4-hydroxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146496906
2-(3,5-Difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
CID 170593007
4-Amino-2-(4-hydroxyphenyl)-1,2-dihydroimidazol-5-one
CID 91092935

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one (CID 79960072) is 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1ccc(O)cc1.
What is the InChIKey of 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is IKQUJWBWYPHWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-7-15-10(11(13)14-12(15)17)8-3-5-9(16)6-4-8/h3-6,10,16H,2,7H2,1H3,(H2,13,14,17).
What are the key properties of 5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.64, 3 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-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).