N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide

C15H19N3O3 — CID 4098737

IUPACN-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H19N3O3/c1-20-13-8-12(9-14(10-13)21-2)15(19)17-4-3-6-18-7-5-16-11-18/h5,7-11H,3-4,6H2,1-2H3,(H,17,19)
InChIKeyGSQLEAKXJONDKK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.72
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide

N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide (PubChem CID 4098737) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
PubChem CID4098737
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H19N3O3/c1-20-13-8-12(9-14(10-13)21-2)15(19)17-4-3-6-18-7-5-16-11-18/h5,7-11H,3-4,6H2,1-2H3,(H,17,19)
InChIKeyGSQLEAKXJONDKK-UHFFFAOYSA-N
XLogP1.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide (CID 4098737) is N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
The InChIKey is GSQLEAKXJONDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-13-8-12(9-14(10-13)21-2)15(19)17-4-3-6-18-7-5-16-11-18/h5,7-11H,3-4,6H2,1-2H3,(H,17,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide has a molecular weight of 289.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 4098737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).