5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide

C14H16ClN3O2 — CID 3494964

IUPAC5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H16ClN3O2/c1-20-13-4-3-11(15)9-12(13)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,17,19)
InChIKeyJJHXUPNPEIZECB-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.37
Rot. Bonds6

About 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide

5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide (PubChem CID 3494964) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
PubChem CID3494964
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H16ClN3O2/c1-20-13-4-3-11(15)9-12(13)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,17,19)
InChIKeyJJHXUPNPEIZECB-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide (CID 3494964) is 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
The InChIKey is JJHXUPNPEIZECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-20-13-4-3-11(15)9-12(13)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide?
5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide has a molecular weight of 293.75 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 3494964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).