1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide

C13H20ClN3O2 — CID 15441242

IUPAC1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc(C)c(C)n1C(Cl)C(C)=O
InChIInChI=1S/C13H20ClN3O2/c1-6-16(7-2)13(19)12-15-8(3)9(4)17(12)11(14)10(5)18/h11H,6-7H2,1-5H3
InChIKeyYPTKKTDFHVWODQ-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.31
Rot. Bonds5

About 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide

1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide (PubChem CID 15441242) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound Name1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide
PubChem CID15441242
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc(C)c(C)n1C(Cl)C(C)=O
InChIInChI=1S/C13H20ClN3O2/c1-6-16(7-2)13(19)12-15-8(3)9(4)17(12)11(14)10(5)18/h11H,6-7H2,1-5H3
InChIKeyYPTKKTDFHVWODQ-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide?
The IUPAC name of 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide (CID 15441242) is 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide.
What is the SMILES notation for 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide?
The canonical SMILES for 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide is CCN(CC)C(=O)c1nc(C)c(C)n1C(Cl)C(C)=O.
What is the InChIKey of 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide?
The InChIKey is YPTKKTDFHVWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-6-16(7-2)13(19)12-15-8(3)9(4)17(12)11(14)10(5)18/h11H,6-7H2,1-5H3.
What are the key properties of 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide?
1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-oxopropyl)-N,N-diethyl-4,5-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 15441242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).