2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide

C13H15N3O2 — CID 142479688

IUPAC2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
SMILESCC(O)c1nccn1CC(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10(17)13-14-7-8-16(13)9-12(18)15-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3,(H,15,18)
InChIKeyNCKGTMPRIUTYKT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.58
Rot. Bonds4

About 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide

2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide (PubChem CID 142479688) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
PubChem CID142479688
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
SMILESCC(O)c1nccn1CC(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10(17)13-14-7-8-16(13)9-12(18)15-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3,(H,15,18)
InChIKeyNCKGTMPRIUTYKT-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
N-(4-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79106625
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide (CID 142479688) is 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide is CC(O)c1nccn1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide?
The InChIKey is NCKGTMPRIUTYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(17)13-14-7-8-16(13)9-12(18)15-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3,(H,15,18).
What are the key properties of 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide?
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide has a molecular weight of 245.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 142479688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).