N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide

C16H19N3O2 — CID 136587080

IUPACN-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2ccnc2)cc1)NC1CC(CO)C1
InChIInChI=1S/C16H19N3O2/c20-10-13-7-14(8-13)18-16(21)9-12-1-3-15(4-2-12)19-6-5-17-11-19/h1-6,11,13-14,20H,7-10H2,(H,18,21)
InChIKeyJUINOOIQVODADD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.30
Rot. Bonds5

About N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide

N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 136587080) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
PubChem CID136587080
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2ccnc2)cc1)NC1CC(CO)C1
InChIInChI=1S/C16H19N3O2/c20-10-13-7-14(8-13)18-16(21)9-12-1-3-15(4-2-12)19-6-5-17-11-19/h1-6,11,13-14,20H,7-10H2,(H,18,21)
InChIKeyJUINOOIQVODADD-UHFFFAOYSA-N
XLogP1.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone
CID 126840362
2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
CID 136557380
N-(3-aminocyclobutyl)-2-pyridin-4-ylacetamide
CID 43594929
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 138000636

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide (CID 136587080) is N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2ccnc2)cc1)NC1CC(CO)C1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is JUINOOIQVODADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-10-13-7-14(8-13)18-16(21)9-12-1-3-15(4-2-12)19-6-5-17-11-19/h1-6,11,13-14,20H,7-10H2,(H,18,21).
What are the key properties of N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide?
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 136587080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).