3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide

C13H15N3O2 — CID 54958933

IUPAC3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1ccnc1)NC(=O)c1cccc(O)c1
InChIInChI=1S/C13H15N3O2/c1-10(8-16-6-5-14-9-16)15-13(18)11-3-2-4-12(17)7-11/h2-7,9-10,17H,8H2,1H3,(H,15,18)
InChIKeyWEHXIAKCIJVUOD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds4

About 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide

3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide (PubChem CID 54958933) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
PubChem CID54958933
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1ccnc1)NC(=O)c1cccc(O)c1
InChIInChI=1S/C13H15N3O2/c1-10(8-16-6-5-14-9-16)15-13(18)11-3-2-4-12(17)7-11/h2-7,9-10,17H,8H2,1H3,(H,15,18)
InChIKeyWEHXIAKCIJVUOD-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide
CID 166186523
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrobenzamide
CID 62682502
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide (CID 54958933) is 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide is CC(Cn1ccnc1)NC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
The InChIKey is WEHXIAKCIJVUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(8-16-6-5-14-9-16)15-13(18)11-3-2-4-12(17)7-11/h2-7,9-10,17H,8H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 54958933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).