N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide

C11H19N3O2 — CID 20577870

IUPACN-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
SMILESCC(=O)NC(C)C(O)CC(C)c1ncc[nH]1
InChIInChI=1S/C11H19N3O2/c1-7(11-12-4-5-13-11)6-10(16)8(2)14-9(3)15/h4-5,7-8,10,16H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyOKPRCDVLOYWLPS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.79
Rot. Bonds5

About N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide

N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide (PubChem CID 20577870) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
PubChem CID20577870
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
SMILESCC(=O)NC(C)C(O)CC(C)c1ncc[nH]1
InChIInChI=1S/C11H19N3O2/c1-7(11-12-4-5-13-11)6-10(16)8(2)14-9(3)15/h4-5,7-8,10,16H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyOKPRCDVLOYWLPS-UHFFFAOYSA-N
XLogP0.79
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-imidazol-2-yl)(piperidin-4-yl)methanol
CID 75488621
trans-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91770212
2-(3-Hydroxypiperidin-1-YL)-N-[3-(1H-imidazol-2-YL)propyl]acetamide
CID 91777804
N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methyl-1H-imidazol-1-yl)acetamide
CID 91778032
2-(2-ethyl-1H-imidazol-1-yl)-N-[1-(trans-3-hydroxycyclobutyl)propyl]acetamide
CID 91793853
N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 126839998
3-[(2S)-2-(hydroxymethyl)-3-methylbutyl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 164637281
1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol
CID 20545529
actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
CID 20577869
1-(1H-imidazol-2-yl)pentan-1-ol
CID 21641166
2-amino-1-(1H-imidazol-2-yl)-4-methylpentan-1-ol
CID 21641218
N-[1-(1H-imidazol-2-yl)-2-methylpropyl]hexanamide
CID 53965372

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
The IUPAC name of N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide (CID 20577870) is N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide is CC(=O)NC(C)C(O)CC(C)c1ncc[nH]1.
What is the InChIKey of N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
The InChIKey is OKPRCDVLOYWLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(11-12-4-5-13-11)6-10(16)8(2)14-9(3)15/h4-5,7-8,10,16H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide is sourced from PubChem (CID 20577870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).