2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide

C8H11Cl2N3O — CID 3362018

IUPAC2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccnc1)C(Cl)Cl
InChIInChI=1S/C8H11Cl2N3O/c9-7(10)8(14)12-2-1-4-13-5-3-11-6-13/h3,5-7H,1-2,4H2,(H,12,14)
InChIKeyQCXFMQGOKGZSDS-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.19
Rot. Bonds5

About 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide

2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 3362018) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID3362018
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccnc1)C(Cl)Cl
InChIInChI=1S/C8H11Cl2N3O/c9-7(10)8(14)12-2-1-4-13-5-3-11-6-13/h3,5-7H,1-2,4H2,(H,12,14)
InChIKeyQCXFMQGOKGZSDS-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-1-methylcyclopropanecarboxamide
CID 2970407
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
N-(3-[chloroacetamido]propyl)imidazole
CID 3428627
N-(3-imidazolylpropyl)propanamide
CID 4135721
N-(3-imidazol-1-ylpropyl)acetamide
CID 5197470
N-[3-(1H-Imidazol-1-yl)propyl]prop-2-enamide
CID 43616372
N-((r,s)-1-imidazol-1-yl-butyl)-acetamide
CID 101676780
2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide
CID 18722255

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide (CID 3362018) is 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide is O=C(NCCCn1ccnc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is QCXFMQGOKGZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O/c9-7(10)8(14)12-2-1-4-13-5-3-11-6-13/h3,5-7H,1-2,4H2,(H,12,14).
What are the key properties of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide?
2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 236.10 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 3362018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).