2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide

C14H22ClN3O — CID 66129560

IUPAC2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide
SMILESCCCn1cncc1C(Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22ClN3O/c1-2-8-18-10-16-9-12(18)13(15)14(19)17-11-6-4-3-5-7-11/h9-11,13H,2-8H2,1H3,(H,17,19)
InChIKeyIHCCEUWFRDFQTF-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.02
Rot. Bonds5

About 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide

2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide (PubChem CID 66129560) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide
PubChem CID66129560
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide
SMILESCCCn1cncc1C(Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22ClN3O/c1-2-8-18-10-16-9-12(18)13(15)14(19)17-11-6-4-3-5-7-11/h9-11,13H,2-8H2,1H3,(H,17,19)
InChIKeyIHCCEUWFRDFQTF-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide 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 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide (CID 66129560) is 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide is CCCn1cncc1C(Cl)C(=O)NC1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide?
The InChIKey is IHCCEUWFRDFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-8-18-10-16-9-12(18)13(15)14(19)17-11-6-4-3-5-7-11/h9-11,13H,2-8H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide?
2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide is sourced from PubChem (CID 66129560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).