4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide

C15H19N3O2 — CID 43918906

IUPAC4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3O2/c1-20-10-2-7-17-15(19)14-5-3-13(4-6-14)11-18-9-8-16-12-18/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,17,19)
InChIKeyLIKJPRPOGQNXNT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide

4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 43918906) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
PubChem CID43918906
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3O2/c1-20-10-2-7-17-15(19)14-5-3-13(4-6-14)11-18-9-8-16-12-18/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,17,19)
InChIKeyLIKJPRPOGQNXNT-UHFFFAOYSA-N
XLogP1.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
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-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
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-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 38103395
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide (CID 43918906) is 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is LIKJPRPOGQNXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-10-2-7-17-15(19)14-5-3-13(4-6-14)11-18-9-8-16-12-18/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,17,19).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide?
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.70, 7 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-methoxypropyl)benzamide is sourced from PubChem (CID 43918906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).