(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone

C13H12BrFN2O — CID 114020545

IUPAC(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H12BrFN2O/c1-2-7-17-8-6-16-13(17)12(18)9-4-3-5-10(14)11(9)15/h3-6,8H,2,7H2,1H3
InChIKeyKXGYKCUYQOYXQV-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.43
Rot. Bonds4

About (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone

(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 114020545) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
PubChem CID114020545
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H12BrFN2O/c1-2-7-17-8-6-16-13(17)12(18)9-4-3-5-10(14)11(9)15/h3-6,8H,2,7H2,1H3
InChIKeyKXGYKCUYQOYXQV-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 107123726
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 106761879
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone (CID 114020545) is (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is KXGYKCUYQOYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-2-7-17-8-6-16-13(17)12(18)9-4-3-5-10(14)11(9)15/h3-6,8H,2,7H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone?
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 311.15 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 114020545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).