4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C17H23N3O2 — CID 56914204

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)9-7-13-3-5-14(6-4-13)16(21)19-10-8-15-11-18-12-20-15/h3-6,11-12,22H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAFMLIKBNBWYASK-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 56914204) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID56914204
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)9-7-13-3-5-14(6-4-13)16(21)19-10-8-15-11-18-12-20-15/h3-6,11-12,22H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAFMLIKBNBWYASK-UHFFFAOYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 70765860
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
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
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607670
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 56914204) is 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is CC(C)(O)CCc1ccc(C(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is AFMLIKBNBWYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,22)9-7-13-3-5-14(6-4-13)16(21)19-10-8-15-11-18-12-20-15/h3-6,11-12,22H,7-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 56914204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).