N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide

C12H13N3O2 — CID 28739593

IUPACN-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c16-11-3-1-10(2-4-11)14-12(17)5-7-15-8-6-13-9-15/h1-4,6,8-9,16H,5,7H2,(H,14,17)
InChIKeyJRYDQVQAWRVVNB-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.62
Rot. Bonds4

About N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide

N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide (PubChem CID 28739593) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
PubChem CID28739593
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(O)cc1
InChIInChI=1S/C12H13N3O2/c16-11-3-1-10(2-4-11)14-12(17)5-7-15-8-6-13-9-15/h1-4,6,8-9,16H,5,7H2,(H,14,17)
InChIKeyJRYDQVQAWRVVNB-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
CID 65098547
N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide
CID 166244983
3-[3-(3-imidazol-1-ylpropanoylamino)phenyl]prop-2-enoic acid
CID 76907421
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-(3-chloropyrazin-2-yl)-3-imidazol-1-ylpropanamide
CID 102989504
6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
CID 63643768
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
CID 46339273
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide (CID 28739593) is N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is JRYDQVQAWRVVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-3-1-10(2-4-11)14-12(17)5-7-15-8-6-13-9-15/h1-4,6,8-9,16H,5,7H2,(H,14,17).
What are the key properties of N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide?
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 231.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 28739593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).