4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C13H15N3O2 — CID 65231177

IUPAC4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(CO)cc1
InChIInChI=1S/C13H15N3O2/c17-8-10-1-3-11(4-2-10)13(18)15-6-5-12-7-14-9-16-12/h1-4,7,9,17H,5-6,8H2,(H,14,16)(H,15,18)
InChIKeyJYYOYMSHBSJDRS-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.87
Rot. Bonds5

About 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 65231177) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID65231177
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(CO)cc1
InChIInChI=1S/C13H15N3O2/c17-8-10-1-3-11(4-2-10)13(18)15-6-5-12-7-14-9-16-12/h1-4,7,9,17H,5-6,8H2,(H,14,16)(H,15,18)
InChIKeyJYYOYMSHBSJDRS-UHFFFAOYSA-N
XLogP0.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74236568
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
CID 91382735
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607670

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 65231177) is 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is O=C(NCCc1cnc[nH]1)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is JYYOYMSHBSJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-8-10-1-3-11(4-2-10)13(18)15-6-5-12-7-14-9-16-12/h1-4,7,9,17H,5-6,8H2,(H,14,16)(H,15,18).
What are the key properties of 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 65231177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).