N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide

C16H21N3O2 — CID 86872246

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O2/c1-21-11-3-2-4-16(20)18-12-14-5-7-15(8-6-14)19-10-9-17-13-19/h5-10,13H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyHVIRCEMPISRLOK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds8

About N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide

N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide (PubChem CID 86872246) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
PubChem CID86872246
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O2/c1-21-11-3-2-4-16(20)18-12-14-5-7-15(8-6-14)19-10-9-17-13-19/h5-10,13H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyHVIRCEMPISRLOK-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide
CID 166212139
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 43907955
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide (CID 86872246) is N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide is COCCCCC(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide?
The InChIKey is HVIRCEMPISRLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-11-3-2-4-16(20)18-12-14-5-7-15(8-6-14)19-10-9-17-13-19/h5-10,13H,2-4,11-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide?
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide is sourced from PubChem (CID 86872246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).