(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone

C13H12Cl2N2O — CID 61316276

IUPAC(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-2-7-17-8-6-16-13(17)12(18)11-9(14)4-3-5-10(11)15/h3-6,8H,2,7H2,1H3
InChIKeyOIONITSQKVHUIN-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.83
Rot. Bonds4

About (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone

(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 61316276) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
PubChem CID61316276
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-2-7-17-8-6-16-13(17)12(18)11-9(14)4-3-5-10(11)15/h3-6,8H,2,7H2,1H3
InChIKeyOIONITSQKVHUIN-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
CID 103448076
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
CID 63977108
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
CID 105100591
(E)-2-ethyl-1-(1-propylimidazol-2-yl)but-2-en-1-one
CID 103447433

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone (CID 61316276) is (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is OIONITSQKVHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-7-17-8-6-16-13(17)12(18)11-9(14)4-3-5-10(11)15/h3-6,8H,2,7H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone?
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 283.16 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 61316276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).