1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone

C13H12Cl2N2O — CID 115783517

IUPAC1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-2-17-7-6-16-12(17)8-11(18)13-9(14)4-3-5-10(13)15/h3-7H,2,8H2,1H3
InChIKeySADDXTWFSGKUIM-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone

1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 115783517) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID115783517
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-2-17-7-6-16-12(17)8-11(18)13-9(14)4-3-5-10(13)15/h3-7H,2,8H2,1H3
InChIKeySADDXTWFSGKUIM-UHFFFAOYSA-N
XLogP3.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 115783517) is 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is SADDXTWFSGKUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-17-7-6-16-12(17)8-11(18)13-9(14)4-3-5-10(13)15/h3-7H,2,8H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 283.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 115783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).