1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one

C15H17BrN2O — CID 79743617

IUPAC1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-2-7-18-8-6-17-15(18)11-14(19)10-12-4-3-5-13(16)9-12/h3-6,8-9H,2,7,10-11H2,1H3
InChIKeyIALICOAIJPMNJJ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.41
Rot. Bonds6

About 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one

1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one (PubChem CID 79743617) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
PubChem CID79743617
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-2-7-18-8-6-17-15(18)11-14(19)10-12-4-3-5-13(16)9-12/h3-6,8-9H,2,7,10-11H2,1H3
InChIKeyIALICOAIJPMNJJ-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
1-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869984
1-(3-aminophenyl)-3-(1-methylimidazol-2-yl)propan-2-one
CID 116577218
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone
CID 66144707
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one (CID 79743617) is 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one is CCCn1ccnc1CC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
The InChIKey is IALICOAIJPMNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-7-18-8-6-17-15(18)11-14(19)10-12-4-3-5-13(16)9-12/h3-6,8-9H,2,7,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one has a molecular weight of 321.22 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 79743617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).