4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide

C16H21N3O3 — CID 86844740

IUPAC4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCOCCOCCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C16H21N3O3/c1-21-10-11-22-9-7-18-16(20)15-4-2-14(3-5-15)12-19-8-6-17-13-19/h2-6,8,13H,7,9-12H2,1H3,(H,18,20)
InChIKeyRTERSMFVJPNMTK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.32
Rot. Bonds9

About 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide

4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide (PubChem CID 86844740) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
PubChem CID86844740
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCOCCOCCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C16H21N3O3/c1-21-10-11-22-9-7-18-16(20)15-4-2-14(3-5-15)12-19-8-6-17-13-19/h2-6,8,13H,7,9-12H2,1H3,(H,18,20)
InChIKeyRTERSMFVJPNMTK-UHFFFAOYSA-N
XLogP1.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537554
4-(imidazol-1-ylmethyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492316
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721630
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide (CID 86844740) is 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide is COCCOCCNC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The InChIKey is RTERSMFVJPNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-10-11-22-9-7-18-16(20)15-4-2-14(3-5-15)12-19-8-6-17-13-19/h2-6,8,13H,7,9-12H2,1H3,(H,18,20).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide is sourced from PubChem (CID 86844740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).