1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone

C16H20N2O — CID 115784740

IUPAC1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cccc(C)c1C
InChIInChI=1S/C16H20N2O/c1-4-9-18-10-8-17-16(18)11-15(19)14-7-5-6-12(2)13(14)3/h5-8,10H,4,9,11H2,1-3H3
InChIKeyGOKBQLXSESEQPY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.34
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone

1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784740) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784740
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cccc(C)c1C
InChIInChI=1S/C16H20N2O/c1-4-9-18-10-8-17-16(18)11-15(19)14-7-5-6-12(2)13(14)3/h5-8,10H,4,9,11H2,1-3H3
InChIKeyGOKBQLXSESEQPY-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793097
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 79744288
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79743617

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784740) is 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is GOKBQLXSESEQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-9-18-10-8-17-16(18)11-15(19)14-7-5-6-12(2)13(14)3/h5-8,10H,4,9,11H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).