N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide

C16H21N3O2 — CID 110002138

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-16(2,8-11-20)18-15(21)13-4-6-14(7-5-13)19-10-9-17-12-19/h4-7,9-10,12,20H,3,8,11H2,1-2H3,(H,18,21)
InChIKeyHLOASGDYGOAQMF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide

N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide (PubChem CID 110002138) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
PubChem CID110002138
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-16(2,8-11-20)18-15(21)13-4-6-14(7-5-13)19-10-9-17-12-19/h4-7,9-10,12,20H,3,8,11H2,1-2H3,(H,18,21)
InChIKeyHLOASGDYGOAQMF-UHFFFAOYSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 110445434
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002142
N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide
CID 106167148
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide (CID 110002138) is N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide is CCC(C)(CCO)NC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide?
The InChIKey is HLOASGDYGOAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-16(2,8-11-20)18-15(21)13-4-6-14(7-5-13)19-10-9-17-12-19/h4-7,9-10,12,20H,3,8,11H2,1-2H3,(H,18,21).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide?
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 110002138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).