4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide

C13H15N3O3 — CID 79204687

IUPAC4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
SMILESO=C(CCCO)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O3/c17-9-1-2-12(18)15-10-3-5-11(6-4-10)16-8-7-14-13(16)19/h3-8,17H,1-2,9H2,(H,14,19)(H,15,18)
InChIKeyNHIONYCSCVPOMB-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.88
Rot. Bonds5

About 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide

4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide (PubChem CID 79204687) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
PubChem CID79204687
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
SMILESO=C(CCCO)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O3/c17-9-1-2-12(18)15-10-3-5-11(6-4-10)16-8-7-14-13(16)19/h3-8,17H,1-2,9H2,(H,14,19)(H,15,18)
InChIKeyNHIONYCSCVPOMB-UHFFFAOYSA-N
XLogP0.88
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide (CID 79204687) is 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide is O=C(CCCO)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
The InChIKey is NHIONYCSCVPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-1-2-12(18)15-10-3-5-11(6-4-10)16-8-7-14-13(16)19/h3-8,17H,1-2,9H2,(H,14,19)(H,15,18).
What are the key properties of 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide has a molecular weight of 261.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 79204687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).