5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole

C13H12BrFN2O — CID 66152904

IUPAC5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
SMILESFc1cc(OCc2cncn2C2CC2)ccc1Br
InChIInChI=1S/C13H12BrFN2O/c14-12-4-3-11(5-13(12)15)18-7-10-6-16-8-17(10)9-1-2-9/h3-6,8-9H,1-2,7H2
InChIKeyPIZHXAXZKUHBQJ-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.70
Rot. Bonds4

About 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole

5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole (PubChem CID 66152904) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole.

Molecular Properties

Compound Name5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
PubChem CID66152904
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
SMILESFc1cc(OCc2cncn2C2CC2)ccc1Br
InChIInChI=1S/C13H12BrFN2O/c14-12-4-3-11(5-13(12)15)18-7-10-6-16-8-17(10)9-1-2-9/h3-6,8-9H,1-2,7H2
InChIKeyPIZHXAXZKUHBQJ-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
CID 66152915
5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
CID 80641562
1-cyclopropyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
CID 66148013
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66154634
1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
CID 102990484
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154264
3-bromo-4-[(3-cyclopropylimidazol-4-yl)methoxy]benzaldehyde
CID 66153478
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-4,6-difluoroaniline
CID 66164475
N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782688
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole?
The IUPAC name of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole (CID 66152904) is 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole.
What is the SMILES notation for 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole?
The canonical SMILES for 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole is Fc1cc(OCc2cncn2C2CC2)ccc1Br.
What is the InChIKey of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole?
The InChIKey is PIZHXAXZKUHBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-12-4-3-11(5-13(12)15)18-7-10-6-16-8-17(10)9-1-2-9/h3-6,8-9H,1-2,7H2.
What are the key properties of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole?
5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole has a molecular weight of 311.15 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole is sourced from PubChem (CID 66152904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).