1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one

C15H13BrN2O2 — CID 105133836

IUPAC1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H13BrN2O2/c1-18-8-7-17-14(18)6-5-12(19)13-9-10-3-2-4-11(16)15(10)20-13/h2-4,7-9H,5-6H2,1H3
InChIKeyPROXUOKCAYWMCA-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.74
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 105133836) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID105133836
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H13BrN2O2/c1-18-8-7-17-14(18)6-5-12(19)13-9-10-3-2-4-11(16)15(10)20-13/h2-4,7-9H,5-6H2,1H3
InChIKeyPROXUOKCAYWMCA-UHFFFAOYSA-N
XLogP3.74
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529476
3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
CID 114529474
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684
7-bromo-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 55685720
1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 114533349
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
CID 105126036
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
3-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 115811872
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 105133836) is 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1CCC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is PROXUOKCAYWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-18-8-7-17-14(18)6-5-12(19)13-9-10-3-2-4-11(16)15(10)20-13/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 333.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 105133836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).