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

C12H13N3O2 — CID 62221393

IUPAC2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1ccnc1CO)Nc1ccccc1
InChIInChI=1S/C12H13N3O2/c16-9-11-13-6-7-15(11)8-12(17)14-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,14,17)
InChIKeyJLPKYGPOEZSSOO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.01
Rot. Bonds4

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

2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide (PubChem CID 62221393) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
PubChem CID62221393
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1ccnc1CO)Nc1ccccc1
InChIInChI=1S/C12H13N3O2/c16-9-11-13-6-7-15(11)8-12(17)14-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,14,17)
InChIKeyJLPKYGPOEZSSOO-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 62222646
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
CID 66416054
N-[4-(hydroxymethyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64794096
2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 62223733
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-(2-ethylimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 63811305
2-[2-(3-hydroxypropyl)imidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 155958535
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide (CID 62221393) is 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide is O=C(Cn1ccnc1CO)Nc1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide?
The InChIKey is JLPKYGPOEZSSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-11-13-6-7-15(11)8-12(17)14-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,14,17).
What are the key properties of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide?
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide has a molecular weight of 231.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 62221393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).