1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone

C14H14BrClN2O — CID 115784801

IUPAC1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-11(15)12(16)8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyDSVYTDPTPIKZIF-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone

1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784801) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784801
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-11(15)12(16)8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyDSVYTDPTPIKZIF-UHFFFAOYSA-N
XLogP4.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784828
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609325
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
1-(4-bromo-3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976208

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784801) is 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is DSVYTDPTPIKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-11(15)12(16)8-10/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 341.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).