4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide

C21H23N3O2 — CID 46773577

IUPAC4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-20-10-6-17(7-11-20)3-2-12-23-21(25)19-8-4-18(5-9-19)15-24-14-13-22-16-24/h4-11,13-14,16H,2-3,12,15H2,1H3,(H,23,25)
InChIKeyWGCJSDCQYDYKNE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds8

About 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide

4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide (PubChem CID 46773577) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
PubChem CID46773577
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-20-10-6-17(7-11-20)3-2-12-23-21(25)19-8-4-18(5-9-19)15-24-14-13-22-16-24/h4-11,13-14,16H,2-3,12,15H2,1H3,(H,23,25)
InChIKeyWGCJSDCQYDYKNE-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
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

4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N'-[4-(imidazol-1-ylmethyl)benzoyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78876010
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721630
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide (CID 46773577) is 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide is COc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is WGCJSDCQYDYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-20-10-6-17(7-11-20)3-2-12-23-21(25)19-8-4-18(5-9-19)15-24-14-13-22-16-24/h4-11,13-14,16H,2-3,12,15H2,1H3,(H,23,25).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 46773577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).